N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine

C17H20N6 — CID 95764258

IUPACN-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
SMILESCCc1nnc2n1C[C@@H](CNc1ncnc3ccccc13)CC2
InChIInChI=1S/C17H20N6/c1-2-15-21-22-16-8-7-12(10-23(15)16)9-18-17-13-5-3-4-6-14(13)19-11-20-17/h3-6,11-12H,2,7-10H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyJNUAYQGWMIQDKN-GFCCVEGCSA-N
MW308.39 g/mol
LogP2.46
Rot. Bonds4

About N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine

N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine (PubChem CID 95764258) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
PubChem CID95764258
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
SMILESCCc1nnc2n1C[C@@H](CNc1ncnc3ccccc13)CC2
InChIInChI=1S/C17H20N6/c1-2-15-21-22-16-8-7-12(10-23(15)16)9-18-17-13-5-3-4-6-14(13)19-11-20-17/h3-6,11-12H,2,7-10H2,1H3,(H,18,19,20)/t12-/m1/s1
InChIKeyJNUAYQGWMIQDKN-GFCCVEGCSA-N
XLogP2.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine with MolForge

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Related Compounds

N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764257
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-1,3-benzothiazol-2-amine
CID 95326395
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine
CID 24607035
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
N-[[(6S)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 95321392
2-(benzenesulfonyl)-N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95311250
N-[(2-aminocyclohexyl)methyl]quinazolin-4-amine
CID 64928662
1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 95329776
N-[2-(1-methylpiperidin-4-yl)ethyl]quinazolin-4-amine
CID 115599555
N-[[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinoxalin-2-amine
CID 95328023
N-[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]quinazolin-4-amine
CID 95290576
6-bromo-N-[(1-phenylpyrrolidin-3-yl)methyl]quinazolin-4-amine
CID 87021035

Frequently Asked Questions

What is the IUPAC name of N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine?
The IUPAC name of N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine (CID 95764258) is N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine?
The canonical SMILES for N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine is CCc1nnc2n1C[C@@H](CNc1ncnc3ccccc13)CC2.
What is the InChIKey of N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine?
The InChIKey is JNUAYQGWMIQDKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-15-21-22-16-8-7-12(10-23(15)16)9-18-17-13-5-3-4-6-14(13)19-11-20-17/h3-6,11-12H,2,7-10H2,1H3,(H,18,19,20)/t12-/m1/s1.
What are the key properties of N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine?
N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 95764258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).