5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide

C14H27N5O — CID 66829854

IUPAC5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C14H27N5O/c1-10(2)8-7-9-11(3)15-13(20)12-16-17-14(18(4)5)19(12)6/h10-11H,7-9H2,1-6H3,(H,15,20)
InChIKeyFIBTZNNVGCWBJZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.83
Rot. Bonds7

About 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide

5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide (PubChem CID 66829854) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide
PubChem CID66829854
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1nnc(N(C)C)n1C
InChIInChI=1S/C14H27N5O/c1-10(2)8-7-9-11(3)15-13(20)12-16-17-14(18(4)5)19(12)6/h10-11H,7-9H2,1-6H3,(H,15,20)
InChIKeyFIBTZNNVGCWBJZ-UHFFFAOYSA-N
XLogP1.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide (CID 66829854) is 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide is CC(C)CCCC(C)NC(=O)c1nnc(N(C)C)n1C.
What is the InChIKey of 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide?
The InChIKey is FIBTZNNVGCWBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-10(2)8-7-9-11(3)15-13(20)12-16-17-14(18(4)5)19(12)6/h10-11H,7-9H2,1-6H3,(H,15,20).
What are the key properties of 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide?
5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-4-methyl-N-(6-methylheptan-2-yl)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 66829854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).