5-amino-N-cycloheptyl-2H-triazole-4-carboxamide

C10H17N5O — CID 110484902

IUPAC5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NC1CCCCCC1
InChIInChI=1S/C10H17N5O/c11-9-8(13-15-14-9)10(16)12-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyDIQIOJONRLGDQJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.84
Rot. Bonds2

About 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide

5-amino-N-cycloheptyl-2H-triazole-4-carboxamide (PubChem CID 110484902) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
PubChem CID110484902
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name5-amino-N-cycloheptyl-2H-triazole-4-carboxamide
SMILESNc1n[nH]nc1C(=O)NC1CCCCCC1
InChIInChI=1S/C10H17N5O/c11-9-8(13-15-14-9)10(16)12-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15)
InChIKeyDIQIOJONRLGDQJ-UHFFFAOYSA-N
XLogP0.84
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-cyclobutyl-2H-triazole-4-carboxamide
CID 105439344
5-amino-N-(1,1-dioxothiolan-3-yl)-2H-triazole-4-carboxamide
CID 110484766
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
N-cyclohexyl-5-sulfanylidene-1,2-dihydrotriazole-4-carboxamide
CID 4623738
3-amino-N-cyclohexyl-1H-1,2,4-triazole-5-carboxamide
CID 62807330
4,5-dibromo-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 19508390
5-(3-chloroanilino)-N-cycloheptyl-2H-triazole-4-carboxamide
CID 50929119
4-bromo-N-cycloheptyl-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 47426517
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-5-methyl-2H-triazole-4-carboxamide
CID 122570390
N-cyclohexyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 136599328

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide (CID 110484902) is 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide is Nc1n[nH]nc1C(=O)NC1CCCCCC1.
What is the InChIKey of 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide?
The InChIKey is DIQIOJONRLGDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-9-8(13-15-14-9)10(16)12-7-5-3-1-2-4-6-7/h7H,1-6H2,(H,12,16)(H3,11,13,14,15).
What are the key properties of 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide?
5-amino-N-cycloheptyl-2H-triazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cycloheptyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).