3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide

C12H24N6O — CID 62792321

IUPAC3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nc(N)n[nH]1)N(C)C
InChIInChI=1S/C12H24N6O/c1-5-8(6-2)9(18(3)4)7-14-11(19)10-15-12(13)17-16-10/h8-9H,5-7H2,1-4H3,(H,14,19)(H3,13,15,16,17)
InChIKeyGLUSJEMMMXSWHC-UHFFFAOYSA-N
MW268.37 g/mol
LogP0.48
Rot. Bonds7

About 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62792321) has the molecular formula C12H24N6O and a molecular weight of 268.37 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62792321
Molecular FormulaC12H24N6O
Molecular Weight268.37 g/mol
Exact Mass268.20
IUPAC Name3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nc(N)n[nH]1)N(C)C
InChIInChI=1S/C12H24N6O/c1-5-8(6-2)9(18(3)4)7-14-11(19)10-15-12(13)17-16-10/h8-9H,5-7H2,1-4H3,(H,14,19)(H3,13,15,16,17)
InChIKeyGLUSJEMMMXSWHC-UHFFFAOYSA-N
XLogP0.48
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide (CID 62792321) is 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide is CCC(CC)C(CNC(=O)c1nc(N)n[nH]1)N(C)C.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GLUSJEMMMXSWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-5-8(6-2)9(18(3)4)7-14-11(19)10-15-12(13)17-16-10/h8-9H,5-7H2,1-4H3,(H,14,19)(H3,13,15,16,17).
What are the key properties of 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 268.37 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-3-ethylpentyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62792321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).