3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide

C11H18N6O — CID 62808266

IUPAC3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCN(C3CC3)CC2)n1
InChIInChI=1S/C11H18N6O/c12-11-14-9(15-16-11)10(18)13-7-3-5-17(6-4-7)8-1-2-8/h7-8H,1-6H2,(H,13,18)(H3,12,14,15,16)
InChIKeyCBDSVYSNGMSCNT-UHFFFAOYSA-N
MW250.31 g/mol
LogP-0.26
Rot. Bonds3

About 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808266) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808266
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)NC2CCN(C3CC3)CC2)n1
InChIInChI=1S/C11H18N6O/c12-11-14-9(15-16-11)10(18)13-7-3-5-17(6-4-7)8-1-2-8/h7-8H,1-6H2,(H,13,18)(H3,12,14,15,16)
InChIKeyCBDSVYSNGMSCNT-UHFFFAOYSA-N
XLogP-0.26
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
CID 62807330
3-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62806830
3-amino-N-(1-methylazetidin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CID 130623492
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-1,2,4-triazole-5-carboxamide
CID 94600004
3-amino-N-(3-ethylcyclohexyl)-1H-1,2,4-triazole-5-carboxamide
CID 64748041
3-amino-N-(2-hydroxycycloheptyl)-1H-1,2,4-triazole-5-carboxamide
CID 113394753
3-amino-N-[2-(hydroxymethyl)cyclopentyl]-1H-1,2,4-triazole-5-carboxamide
CID 106361251
2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-4-carboxylic acid
CID 68615893
3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
3-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 106026096
3-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1H-1,2,4-triazole-5-carboxamide
CID 114629744
3-amino-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1H-1,2,4-triazole-5-carboxamide
CID 79524265

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62808266) is 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)NC2CCN(C3CC3)CC2)n1.
What is the InChIKey of 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CBDSVYSNGMSCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c12-11-14-9(15-16-11)10(18)13-7-3-5-17(6-4-7)8-1-2-8/h7-8H,1-6H2,(H,13,18)(H3,12,14,15,16).
What are the key properties of 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 250.31 g/mol, XLogP of -0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylpiperidin-4-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).