3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide

C10H18N6O2 — CID 55115572

IUPAC3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H18N6O2/c1-5(2)4-6(8(17)12-3)13-9(18)7-14-10(11)16-15-7/h5-6H,4H2,1-3H3,(H,12,17)(H,13,18)(H3,11,14,15,16)
InChIKeyYHGSEGZMVZEIDO-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.72
Rot. Bonds5

About 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 55115572) has the molecular formula C10H18N6O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID55115572
Molecular FormulaC10H18N6O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide
SMILESCNC(=O)C(CC(C)C)NC(=O)c1nc(N)n[nH]1
InChIInChI=1S/C10H18N6O2/c1-5(2)4-6(8(17)12-3)13-9(18)7-14-10(11)16-15-7/h5-6H,4H2,1-3H3,(H,12,17)(H,13,18)(H3,11,14,15,16)
InChIKeyYHGSEGZMVZEIDO-UHFFFAOYSA-N
XLogP-0.72
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide (CID 55115572) is 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide is CNC(=O)C(CC(C)C)NC(=O)c1nc(N)n[nH]1.
What is the InChIKey of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is YHGSEGZMVZEIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O2/c1-5(2)4-6(8(17)12-3)13-9(18)7-14-10(11)16-15-7/h5-6H,4H2,1-3H3,(H,12,17)(H,13,18)(H3,11,14,15,16).
What are the key properties of 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 55115572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).