2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide

C11H21N5O — CID 103813831

IUPAC2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1nncn1CC
InChIInChI=1S/C11H21N5O/c1-4-8(3)10(12)11(17)13-6-9-15-14-7-16(9)5-2/h7-8,10H,4-6,12H2,1-3H3,(H,13,17)
InChIKeyCDRLANHJSOLDAS-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.29
Rot. Bonds6

About 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide

2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide (PubChem CID 103813831) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
PubChem CID103813831
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)NCc1nncn1CC
InChIInChI=1S/C11H21N5O/c1-4-8(3)10(12)11(17)13-6-9-15-14-7-16(9)5-2/h7-8,10H,4-6,12H2,1-3H3,(H,13,17)
InChIKeyCDRLANHJSOLDAS-UHFFFAOYSA-N
XLogP0.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide;dihydrochloride
CID 119878830
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
3-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 106304193
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 114170957
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669775
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylbutanamide
CID 106302587
(2S)-2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119855013
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106302463
2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
CID 103951204
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
2-[2-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 106302145
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 106303954

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide (CID 103813831) is 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide is CCC(C)C(N)C(=O)NCc1nncn1CC.
What is the InChIKey of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide?
The InChIKey is CDRLANHJSOLDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-8(3)10(12)11(17)13-6-9-15-14-7-16(9)5-2/h7-8,10H,4-6,12H2,1-3H3,(H,13,17).
What are the key properties of 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide?
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide is sourced from PubChem (CID 103813831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).