N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide

C10H16N4O — CID 64510528

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCCC1
InChIInChI=1S/C10H16N4O/c1-14(6-9-11-7-12-13-9)10(15)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyGUDZCEDWWMZLCC-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds3

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide (PubChem CID 64510528) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
PubChem CID64510528
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCCC1
InChIInChI=1S/C10H16N4O/c1-14(6-9-11-7-12-13-9)10(15)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,11,12,13)
InChIKeyGUDZCEDWWMZLCC-UHFFFAOYSA-N
XLogP0.95
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-3-carboxamide
CID 81141505
(2R,3R)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479147
(2S,3S)-2-ethyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)oxane-3-carboxamide
CID 129479148
3-cyclohexyl-1-methyl-1-(1H-1,2,4-triazol-5-ylmethyl)thiourea
CID 116508875
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561965
1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 64511827
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
2-[cyclopropyl-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]acetic acid
CID 64516941
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64511060
(3R)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 64517291
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64510292
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide (CID 64510528) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide is CN(Cc1ncn[nH]1)C(=O)C1CCCC1.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
The InChIKey is GUDZCEDWWMZLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14(6-9-11-7-12-13-9)10(15)8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclopentanecarboxamide is sourced from PubChem (CID 64510528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).