4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

C19H24N6 — CID 99834112

IUPAC4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCC(C)n1cc(CNc2ccc(Cc3nnc4n3CCC4)cc2)cn1
InChIInChI=1S/C19H24N6/c1-14(2)25-13-16(12-21-25)11-20-17-7-5-15(6-8-17)10-19-23-22-18-4-3-9-24(18)19/h5-8,12-14,20H,3-4,9-11H2,1-2H3
InChIKeyQYCRSPJJYSSZIC-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.20
Rot. Bonds6

About 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline

4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 99834112) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID99834112
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCC(C)n1cc(CNc2ccc(Cc3nnc4n3CCC4)cc2)cn1
InChIInChI=1S/C19H24N6/c1-14(2)25-13-16(12-21-25)11-20-17-7-5-15(6-8-17)10-19-23-22-18-4-3-9-24(18)19/h5-8,12-14,20H,3-4,9-11H2,1-2H3
InChIKeyQYCRSPJJYSSZIC-UHFFFAOYSA-N
XLogP3.20
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline with MolForge

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Related Compounds

4-iodo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 103825724
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
N-methyl-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]benzamide
CID 107095654
6-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pyridin-3-amine
CID 103816369
4-[(2S)-butan-2-yl]-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)aniline
CID 7523875
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)aniline
CID 60722553
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 107077006
4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)phenol
CID 54924444
3-benzyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 657668
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)phenyl]-3-(5-propan-2-yl-1H-pyrazol-3-yl)urea
CID 155950033
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)phenyl]-3-(2-ethylpyrimidin-5-yl)urea
CID 154754410

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline (CID 99834112) is 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is CC(C)n1cc(CNc2ccc(Cc3nnc4n3CCC4)cc2)cn1.
What is the InChIKey of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is QYCRSPJJYSSZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14(2)25-13-16(12-21-25)11-20-17-7-5-15(6-8-17)10-19-23-22-18-4-3-9-24(18)19/h5-8,12-14,20H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline?
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 336.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 99834112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).