(3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone

C7H6N4O2 — CID 661164

IUPAC(3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
SMILESNc1ncn(C(=O)c2ccco2)n1
InChIInChI=1S/C7H6N4O2/c8-7-9-4-11(10-7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,10)
InChIKeyIESPRAYLMDDQJZ-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.14
Rot. Bonds1

About (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone

(3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone (PubChem CID 661164) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
PubChem CID661164
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name(3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone
SMILESNc1ncn(C(=O)c2ccco2)n1
InChIInChI=1S/C7H6N4O2/c8-7-9-4-11(10-7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,10)
InChIKeyIESPRAYLMDDQJZ-UHFFFAOYSA-N
XLogP0.14
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-propyltetrazol-5-yl)furan-2-carboxamide
CID 894157
Furan-2-carboxylic acid [2-(3,5-dimethyl-[1,2,4]triazol-1-yl)-ethyl]-amide
CID 6499844
N-[(2-methyl-2H-tetrazol-5-yl)carbamothioyl]furan-2-carboxamide
CID 2950680
N-(5-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)furan-2-carboxamide
CID 135465191
N-(2-ethyltetrazol-5-yl)furan-2-carboxamide
CID 1091684
N-(2-butyl-2H-tetrazol-5-yl)-2-furamide
CID 2219054
{2-[(Furan-2-carbonyl)-amino]-3-[1,2,4]triazol-1-yl-propyl}-phosphonic acid
CID 44305097
N-[4-(1H-1,2,4-Triazol-1-yl)butyl]-2-furancarboxamide
CID 20266540
N-(2-methyl-2H-tetrazol-5-yl)furan-2-carboxamide
CID 662868
[4-(5-amino-1H-1,2,4-triazol-3-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 14450395
N-(furan-2-ylmethyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 45811337
N-(furan-2-ylmethyl)-N-methyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53586960

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
The IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone (CID 661164) is (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
The canonical SMILES for (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone is Nc1ncn(C(=O)c2ccco2)n1.
What is the InChIKey of (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
The InChIKey is IESPRAYLMDDQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-7-9-4-11(10-7)6(12)5-2-1-3-13-5/h1-4H,(H2,8,10).
What are the key properties of (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone?
(3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone has a molecular weight of 178.15 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4-triazol-1-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 661164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).