N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide

C11H18N4O — CID 107400505

IUPACN-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1n[nH]c(C)n1
InChIInChI=1S/C11H18N4O/c1-3-15(7-9-5-4-6-9)11(16)10-12-8(2)13-14-10/h9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyTUUKYLDPBHYRHS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.38
Rot. Bonds4

About N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide

N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 107400505) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID107400505
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCN(CC1CCC1)C(=O)c1n[nH]c(C)n1
InChIInChI=1S/C11H18N4O/c1-3-15(7-9-5-4-6-9)11(16)10-12-8(2)13-14-10/h9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyTUUKYLDPBHYRHS-UHFFFAOYSA-N
XLogP1.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclobutylmethyl(ethyl)carbamoyl]-5-ethyl-1H-pyrazole-4-sulfonyl chloride
CID 107402583
N-ethyl-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-1,2,4-triazole-3-carboxamide
CID 106609199
1-(cyclopropylmethyl)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-propylurea
CID 119070667
ethyl 4-[cyclobutylmethyl(ethyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 107400437
2-[cyclobutylmethyl(ethyl)carbamoyl]benzoic acid
CID 107397528
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinylpyridine-2-carboxamide
CID 107401457
N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401262
N-(cyclobutylmethyl)-N-ethyl-2-hydroxy-3-nitrobenzamide
CID 107399084
4-(chloromethyl)-N-(cyclobutylmethyl)-N-ethylbenzamide
CID 107397605
N-(cyclobutylmethyl)-N-ethyl-3,4-dihydroxybenzamide
CID 107728572
4-amino-N-(cyclobutylmethyl)-N-ethyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 107403247
2-amino-N-(cyclobutylmethyl)-N-ethyl-6-propan-2-ylpyridine-4-carboxamide
CID 107401363

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide (CID 107400505) is N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide is CCN(CC1CCC1)C(=O)c1n[nH]c(C)n1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is TUUKYLDPBHYRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(7-9-5-4-6-9)11(16)10-12-8(2)13-14-10/h9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide?
N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-methyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 107400505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).