N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide

C10H19N5O — CID 14772884

IUPACN-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C10H19N5O/c1-6-7(2)11-9(16)8-12-13-10(14(3)4)15(8)5/h7H,6H2,1-5H3,(H,11,16)
InChIKeyAAKZKGRWYXIXDY-UHFFFAOYSA-N
MW225.30 g/mol
LogP0.41
Rot. Bonds4

About N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide

N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide (PubChem CID 14772884) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
PubChem CID14772884
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC NameN-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C10H19N5O/c1-6-7(2)11-9(16)8-12-13-10(14(3)4)15(8)5/h7H,6H2,1-5H3,(H,11,16)
InChIKeyAAKZKGRWYXIXDY-UHFFFAOYSA-N
XLogP0.41
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53565306
N-(2-cyanoethyl)-2-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53571520
2-(3,5-diethyl-1,2,4-triazol-1-yl)-N,N-diethylacetamide
CID 71974205
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]-N-(2-sulfanylethyl)acetamide
CID 177680405
3-[(4-Cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-1-ethyl-1-propan-2-ylurea
CID 86801824
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91762528
N~2~-{[5-(trans-3-aminocyclobutyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-N~1~,N~2~-dimethylglycinamide
CID 91766989
2-(dimethylcarbamoylamino)-N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
CID 99972209
N~2~-acetyl-N~1~-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)propyl]glycinamide
CID 118796223
2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 119036946
4-(3-methoxypropyl)-5-[(3R)-3-methoxypyrrolidin-1-yl]-N-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 119052082
(2S)-N-cyclopentyl-2-[methyl-[(4-propyl-1,2,4-triazol-3-yl)methyl]amino]propanamide
CID 124756487

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide (CID 14772884) is N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide is CCC(C)NC(=O)c1nnc(N(C)C)n1C.
What is the InChIKey of N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
The InChIKey is AAKZKGRWYXIXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-6-7(2)11-9(16)8-12-13-10(14(3)4)15(8)5/h7H,6H2,1-5H3,(H,11,16).
What are the key properties of N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide?
N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide has a molecular weight of 225.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14772884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).