N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide

C13H16N4O2 — CID 78991820

IUPACN-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C13H16N4O2/c18-13(12-8-14-16-15-12)17(10-4-1-2-5-10)9-11-6-3-7-19-11/h3,6-8,10H,1-2,4-5,9H2,(H,14,15,16)
InChIKeyWSIYRBFDTBNSDA-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.98
Rot. Bonds4

About N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide

N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide (PubChem CID 78991820) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
PubChem CID78991820
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
SMILESO=C(c1cn[nH]n1)N(Cc1ccco1)C1CCCC1
InChIInChI=1S/C13H16N4O2/c18-13(12-8-14-16-15-12)17(10-4-1-2-5-10)9-11-6-3-7-19-11/h3,6-8,10H,1-2,4-5,9H2,(H,14,15,16)
InChIKeyWSIYRBFDTBNSDA-UHFFFAOYSA-N
XLogP1.98
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-cyclopentyl-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 103337342
N-cyclopentyl-N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63860432
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
3-amino-N-cyclopentyl-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64524441
N-cyclopentyl-N-(furan-2-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 126795447
N-cyclopentyl-N-(furan-2-ylmethyl)-4-oxo-1H-pyridine-3-carboxamide
CID 103337341
N-cyclopropyl-N-(furan-2-ylmethyl)benzamide
CID 47022966
5-amino-N-cyclopropyl-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 81317098
N-cyclopentyl-N-(furan-2-ylmethyl)-1H-indole-6-carboxamide
CID 56797541
N-cyclopentyl-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 60738271
N-cyclopropyl-N-(furan-2-ylmethyl)-1H-indazole-6-carboxamide
CID 62905612
N-cyclopentyl-N-(furan-2-ylmethyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78883208

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide (CID 78991820) is N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide is O=C(c1cn[nH]n1)N(Cc1ccco1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
The InChIKey is WSIYRBFDTBNSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-13(12-8-14-16-15-12)17(10-4-1-2-5-10)9-11-6-3-7-19-11/h3,6-8,10H,1-2,4-5,9H2,(H,14,15,16).
What are the key properties of N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide?
N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 78991820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).