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

C7H10N4O2 — CID 136849725

IUPACN-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)[nH]c1=O
InChIInChI=1S/C7H10N4O2/c1-11-7(13)9-5(10-11)6(12)8-4-2-3-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10,13)
InChIKeyWPHHTWPPPWJSAC-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.00
Rot. Bonds2

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

N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849725) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849725
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC NameN-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CC2)[nH]c1=O
InChIInChI=1S/C7H10N4O2/c1-11-7(13)9-5(10-11)6(12)8-4-2-3-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10,13)
InChIKeyWPHHTWPPPWJSAC-UHFFFAOYSA-N
XLogP-1.00
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetamide
CID 71793614
N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136452483
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 152709792
6-(Cyclopropylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410479
N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]acetamide
CID 43410544
6-[(2-Aminocyclopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43646880
6-[3-(Cyclopropylamino)propylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43646887
6-[2-[Cyclopropyl(methyl)amino]ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 61610149
6-[2-(Cyclopropylamino)ethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62663587
N-cyclopropyl-2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)amino]propanamide
CID 104399355
N-cyclopropyl-2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
CID 104399441
N-cyclopropyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 115774462

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 136849725) is N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cn1nc(C(=O)NC2CC2)[nH]c1=O.
What is the InChIKey of N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is WPHHTWPPPWJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11-7(13)9-5(10-11)6(12)8-4-2-3-4/h4H,2-3H2,1H3,(H,8,12)(H,9,10,13).
What are the key properties of N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 182.18 g/mol, XLogP of -1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).