8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

C23H24N8 — CID 165104853

IUPAC8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-n3cncn3)nc12
InChIInChI=1S/C23H24N8/c1-14(2)20-11-25-31-21(20)28-22(30-13-24-12-26-30)29-23(31)27-17-8-7-16-9-15-5-3-4-6-18(15)19(16)10-17/h3-6,11-14,17H,7-10H2,1-2H3,(H,27,28,29)/t17-/m1/s1
InChIKeyYYKSMGZHUANQMG-QGZVFWFLSA-N
MW412.50 g/mol
LogP3.80
Rot. Bonds4

About 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 165104853) has the molecular formula C23H24N8 and a molecular weight of 412.50 g/mol. Its IUPAC name is 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID165104853
Molecular FormulaC23H24N8
Molecular Weight412.50 g/mol
Exact Mass412.21
IUPAC Name8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-n3cncn3)nc12
InChIInChI=1S/C23H24N8/c1-14(2)20-11-25-31-21(20)28-22(30-13-24-12-26-30)29-23(31)27-17-8-7-16-9-15-5-3-4-6-18(15)19(16)10-17/h3-6,11-14,17H,7-10H2,1-2H3,(H,27,28,29)/t17-/m1/s1
InChIKeyYYKSMGZHUANQMG-QGZVFWFLSA-N
XLogP3.80
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

8-propan-2-yl-2-pyrazol-1-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165111073
2-[(3S)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(3R)-oxan-3-yl]-8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165106385
8-[(1R)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-[(1S)-1-aminoethyl]-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-(1-aminoethyl)-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 164992406
2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 164952361
2-(5-fluoro-3-pyridinyl)-8-methyl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158049018
N-[(3S)-6,8-difluoro-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(5-fluoro-3-pyridinyl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 158521162
4-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-12-oxa-3,5,7,8-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-6-amine
CID 165057205
2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-propan-2-yl-N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165038522
2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-(2H-triazol-4-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 164978756
2-(5-fluoro-3-pyridinyl)-8-(oxolan-3-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 165087180
N-(2-morpholin-4-yl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 140944742
2-(5-fluoro-3-pyridinyl)-N-[(5S)-2-phenyl-4,5,6,7-tetrahydro-1H-inden-5-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 159796267

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 165104853) is 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)nc(-n3cncn3)nc12.
What is the InChIKey of 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is YYKSMGZHUANQMG-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N8/c1-14(2)20-11-25-31-21(20)28-22(30-13-24-12-26-30)29-23(31)27-17-8-7-16-9-15-5-3-4-6-18(15)19(16)10-17/h3-6,11-14,17H,7-10H2,1-2H3,(H,27,28,29)/t17-/m1/s1.
What are the key properties of 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine?
8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 412.50 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-2-(1,2,4-triazol-1-yl)pyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 165104853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).