5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide

C14H22N4O — CID 127266034

IUPAC5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C2CC2)nc1C(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H22N4O/c1-14(7-3-4-8-14)9-15-13(19)12-16-11(10-5-6-10)17-18(12)2/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyFRLAKEMMBKFSHW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.00
Rot. Bonds4

About 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide

5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide (PubChem CID 127266034) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
PubChem CID127266034
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C2CC2)nc1C(=O)NCC1(C)CCCC1
InChIInChI=1S/C14H22N4O/c1-14(7-3-4-8-14)9-15-13(19)12-16-11(10-5-6-10)17-18(12)2/h10H,3-9H2,1-2H3,(H,15,19)
InChIKeyFRLAKEMMBKFSHW-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide (CID 127266034) is 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide is Cn1nc(C2CC2)nc1C(=O)NCC1(C)CCCC1.
What is the InChIKey of 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
The InChIKey is FRLAKEMMBKFSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-14(7-3-4-8-14)9-15-13(19)12-16-11(10-5-6-10)17-18(12)2/h10H,3-9H2,1-2H3,(H,15,19).
What are the key properties of 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide?
5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-N-[(1-methylcyclopentyl)methyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 127266034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).