N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide

C8H13N5O — CID 115301074

IUPACN-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC(CNC(=O)c1ncn[nH]1)C1CC1
InChIInChI=1S/C8H13N5O/c9-6(5-1-2-5)3-10-8(14)7-11-4-12-13-7/h4-6H,1-3,9H2,(H,10,14)(H,11,12,13)
InChIKeyQSZWSIWBHLLLLB-UHFFFAOYSA-N
MW195.23 g/mol
LogP-0.73
Rot. Bonds4

About N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide

N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 115301074) has the molecular formula C8H13N5O and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID115301074
Molecular FormulaC8H13N5O
Molecular Weight195.23 g/mol
Exact Mass195.11
IUPAC NameN-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC(CNC(=O)c1ncn[nH]1)C1CC1
InChIInChI=1S/C8H13N5O/c9-6(5-1-2-5)3-10-8(14)7-11-4-12-13-7/h4-6H,1-3,9H2,(H,10,14)(H,11,12,13)
InChIKeyQSZWSIWBHLLLLB-UHFFFAOYSA-N
XLogP-0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283347
N-[(2R)-2-hydroxypropyl]-1H-1,2,4-triazole-5-carboxamide
CID 103886008
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-[(2R)-2-ethylhexyl]-1H-1,2,4-triazole-5-carboxamide
CID 2174349
N-(2-amino-2-cyclopropylethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103872684
N-(2-amino-2-cyclopropylethyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103872690
N-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole-5-carboxamide
CID 67183318
N-[2-[cyclopropyl(ethyl)amino]ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 103822632
N-(2-amino-2-cyclopropylethyl)-2-chlorofuran-3-carboxamide
CID 106688585
N-(2-amino-2-cyclopropylethyl)-2,4,6-trifluorobenzamide
CID 65100401
N-(2-amino-2-cyclopropylethyl)-2,6-dichlorobenzamide
CID 113282152

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide (CID 115301074) is N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide is NC(CNC(=O)c1ncn[nH]1)C1CC1.
What is the InChIKey of N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is QSZWSIWBHLLLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O/c9-6(5-1-2-5)3-10-8(14)7-11-4-12-13-7/h4-6H,1-3,9H2,(H,10,14)(H,11,12,13).
What are the key properties of N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide?
N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 195.23 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyclopropylethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 115301074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).