1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride

C16H25ClN8O — CID 154917173

IUPAC1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCc1nnc2n1CC(CNC(=O)c1cn(C3CCC(N)CC3)nn1)C2.Cl
InChIInChI=1S/C16H24N8O.ClH/c1-10-19-21-15-6-11(8-23(10)15)7-18-16(25)14-9-24(22-20-14)13-4-2-12(17)3-5-13;/h9,11-13H,2-8,17H2,1H3,(H,18,25);1H
InChIKeyJBYQDJFRUIWXHB-UHFFFAOYSA-N
MW380.88 g/mol
LogP0.64
Rot. Bonds4

About 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride

1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride (PubChem CID 154917173) has the molecular formula C16H25ClN8O and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride
PubChem CID154917173
Molecular FormulaC16H25ClN8O
Molecular Weight380.88 g/mol
Exact Mass380.18
IUPAC Name1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride
SMILESCc1nnc2n1CC(CNC(=O)c1cn(C3CCC(N)CC3)nn1)C2.Cl
InChIInChI=1S/C16H24N8O.ClH/c1-10-19-21-15-6-11(8-23(10)15)7-18-16(25)14-9-24(22-20-14)13-4-2-12(17)3-5-13;/h9,11-13H,2-8,17H2,1H3,(H,18,25);1H
InChIKeyJBYQDJFRUIWXHB-UHFFFAOYSA-N
XLogP0.64
TPSA116.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride (CID 154917173) is 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride is Cc1nnc2n1CC(CNC(=O)c1cn(C3CCC(N)CC3)nn1)C2.Cl.
What is the InChIKey of 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride?
The InChIKey is JBYQDJFRUIWXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N8O.ClH/c1-10-19-21-15-6-11(8-23(10)15)7-18-16(25)14-9-24(22-20-14)13-4-2-12(17)3-5-13;/h9,11-13H,2-8,17H2,1H3,(H,18,25);1H.
What are the key properties of 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride?
1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 154917173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).