N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

C12H20N4O2 — CID 106137453

IUPACN-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCC(O)C2)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-7(2)10-14-11(16-15-10)12(18)13-6-8-3-4-9(17)5-8/h7-9,17H,3-6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyWTNAHYLSQRVBDM-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.82
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide

N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 106137453) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
PubChem CID106137453
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
SMILESCC(C)c1nc(C(=O)NCC2CCC(O)C2)n[nH]1
InChIInChI=1S/C12H20N4O2/c1-7(2)10-14-11(16-15-10)12(18)13-6-8-3-4-9(17)5-8/h7-9,17H,3-6H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyWTNAHYLSQRVBDM-UHFFFAOYSA-N
XLogP0.82
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 114138265
5-ethyl-N-[(4-hydroxycyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 106137470
2-ethyl-N-[(3-hydroxycyclopentyl)methyl]butanamide
CID 103279737
N-(4-hydroxybutan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 83188390
N-(1-amino-2-cyclopropylpropan-2-yl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 115307753
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 103280197
4,4-dimethyl-2-[[(5-propan-2-yl-1H-1,2,4-triazole-3-carbonyl)amino]methyl]pentanoic acid
CID 107474244
6-bromo-N-[(3-hydroxycyclopentyl)methyl]pyridine-2-carboxamide
CID 103279976
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide (CID 106137453) is N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is CC(C)c1nc(C(=O)NCC2CCC(O)C2)n[nH]1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is WTNAHYLSQRVBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)10-14-11(16-15-10)12(18)13-6-8-3-4-9(17)5-8/h7-9,17H,3-6H2,1-2H3,(H,13,18)(H,14,15,16).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide?
N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 106137453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).