N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

C9H14N4O2 — CID 136849731

IUPACN-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-13-9(15)11-7(12-13)8(14)10-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,14)(H,11,12,15)
InChIKeyRGRDXDXPJWJZPJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.22
Rot. Bonds2

About N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide

N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849731) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849731
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCC2)[nH]c1=O
InChIInChI=1S/C9H14N4O2/c1-13-9(15)11-7(12-13)8(14)10-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,14)(H,11,12,15)
InChIKeyRGRDXDXPJWJZPJ-UHFFFAOYSA-N
XLogP-0.22
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 75433612
N-cyclopentyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542379
6-[(2-Aminocyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63252360
N-(4-aminocyclohexyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137255356
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 152709792
1-(4-aminocyclohexyl)-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 153443786
6-(Cyclopentylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410478
6-[5-(Diethylamino)pentan-2-ylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410485
6-(cyclopentylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410694
6-[3-Aminopropyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60869872
6-[2-[Cyclopentyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63318538
6-[2-Aminoethyl(cyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63765284

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 136849731) is N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cn1nc(C(=O)NC2CCCC2)[nH]c1=O.
What is the InChIKey of N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is RGRDXDXPJWJZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-13-9(15)11-7(12-13)8(14)10-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,10,14)(H,11,12,15).
What are the key properties of N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 210.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).