3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

C11H13N5O2 — CID 62793672

IUPAC3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C11H13N5O2/c12-11-13-9(14-15-11)10(17)16(7-3-4-7)6-8-2-1-5-18-8/h1-2,5,7H,3-4,6H2,(H3,12,13,14,15)
InChIKeyAWIAXFOFOPCVHI-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.78
Rot. Bonds4

About 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62793672) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62793672
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNc1n[nH]c(C(=O)N(Cc2ccco2)C2CC2)n1
InChIInChI=1S/C11H13N5O2/c12-11-13-9(14-15-11)10(17)16(7-3-4-7)6-8-2-1-5-18-8/h1-2,5,7H,3-4,6H2,(H3,12,13,14,15)
InChIKeyAWIAXFOFOPCVHI-UHFFFAOYSA-N
XLogP0.78
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794179
3-amino-N-cyclopropyl-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115097
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64524441
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
N-cyclopropyl-N-(furan-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905612
4-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 107074444
2-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107074445
4-amino-3,5-dichloro-N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 82811231
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
2-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 113255537
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 78991820

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide (CID 62793672) is 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is Nc1n[nH]c(C(=O)N(Cc2ccco2)C2CC2)n1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is AWIAXFOFOPCVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-11-13-9(14-15-11)10(17)16(7-3-4-7)6-8-2-1-5-18-8/h1-2,5,7H,3-4,6H2,(H3,12,13,14,15).
What are the key properties of 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62793672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).