N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide

C10H16N4O2 — CID 115363144

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ncn[nH]1
InChIInChI=1S/C10H16N4O2/c15-6-10(3-1-2-4-10)5-11-9(16)8-12-7-13-14-8/h7,15H,1-6H2,(H,11,16)(H,12,13,14)
InChIKeyAVHYSAQXKOUVTG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.09
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 115363144) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID115363144
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ncn[nH]1
InChIInChI=1S/C10H16N4O2/c15-6-10(3-1-2-4-10)5-11-9(16)8-12-7-13-14-8/h7,15H,1-6H2,(H,11,16)(H,12,13,14)
InChIKeyAVHYSAQXKOUVTG-UHFFFAOYSA-N
XLogP0.09
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-1,2,4-triazole-5-carbonylamino)cycloheptane-1-carboxylic acid
CID 63653820
4-amino-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 113359537
[1-[[1-(1H-1,2,4-triazol-5-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106281531
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
N-(3-hydroxy-2,2-dimethylpropyl)-1H-1,2,4-triazole-5-carboxamide
CID 115283707
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
N-(2-ethylbutyl)-1H-1,2,4-triazole-5-carboxamide
CID 115749130
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-6-methylpyridine-3-carboxamide
CID 115362723
2-hydroxy-4-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 107831797
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
2,6-dihydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103890643
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide (CID 115363144) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide is O=C(NCC1(CO)CCCC1)c1ncn[nH]1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is AVHYSAQXKOUVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-6-10(3-1-2-4-10)5-11-9(16)8-12-7-13-14-8/h7,15H,1-6H2,(H,11,16)(H,12,13,14).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 115363144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).