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

C10H16N4O2 — CID 136849733

IUPACN-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-14-10(16)12-8(13-14)9(15)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,11,15)(H,12,13,16)
InChIKeyKCXBGGBIGNIWMR-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.17
Rot. Bonds2

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

N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849733) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849733
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2)[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-14-10(16)12-8(13-14)9(15)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,11,15)(H,12,13,16)
InChIKeyKCXBGGBIGNIWMR-UHFFFAOYSA-N
XLogP0.17
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetamide
CID 90542380
6-[(2-Aminocyclohexyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 55151132
6-[(2-Aminocyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63252360
6-[(2-Aminocycloheptyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63258673
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 93454020
2,4-Dimethyl-6-[(1-methylpyrrolidin-2-yl)methylamino]-1,2,4-triazine-3,5-dione
CID 103626735
6-[[2-(Dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118917146
6-[[(1R,2S)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118928179
6-[[(1R,2R)-2-(dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 118928180
6-[[2-(Dimethylamino)cyclohexyl]amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione;hydrochloride
CID 132142820
4-[Amino(propanoyl)amino]-1-cyclohexyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 132210991
1-(2-aminopropanoylamino)-N-cyclohexyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 137253124

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide (CID 136849733) is N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is Cn1nc(C(=O)NC2CCCCC2)[nH]c1=O.
What is the InChIKey of N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is KCXBGGBIGNIWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14-10(16)12-8(13-14)9(15)11-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,11,15)(H,12,13,16).
What are the key properties of N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide?
N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).