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

C10H19N5O — CID 103951204

IUPAC2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ncn(C)n1
InChIInChI=1S/C10H19N5O/c1-4-7(2)9(11)10(16)12-5-8-13-6-15(3)14-8/h6-7,9H,4-5,11H2,1-3H3,(H,12,16)
InChIKeyIEKRWGZFXPDWKU-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.20
Rot. Bonds5

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

2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 103951204) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID103951204
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCC(C)C(N)C(=O)NCc1ncn(C)n1
InChIInChI=1S/C10H19N5O/c1-4-7(2)9(11)10(16)12-5-8-13-6-15(3)14-8/h6-7,9H,4-5,11H2,1-3H3,(H,12,16)
InChIKeyIEKRWGZFXPDWKU-UHFFFAOYSA-N
XLogP-0.20
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 114125272
2-amino-3-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pentanamide;dihydrochloride
CID 119878830
(2S)-2-amino-N-[(2-tert-butyltetrazol-5-yl)methyl]-3-methylpentanamide
CID 67291787
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682364
(2S,3S)-2-amino-3-methyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 61283871
2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
CID 103884853
(2S)-2-amino-N-(2-imidazol-1-ylethyl)-3-methylpentanamide
CID 61326563
1-ethyl-1-methyl-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]urea
CID 103885543
2-amino-3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62073575
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 122147436
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide (CID 103951204) is 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide is CCC(C)C(N)C(=O)NCc1ncn(C)n1.
What is the InChIKey of 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is IEKRWGZFXPDWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-7(2)9(11)10(16)12-5-8-13-6-15(3)14-8/h6-7,9H,4-5,11H2,1-3H3,(H,12,16).
What are the key properties of 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide?
2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 225.30 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 103951204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).