(2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide

C10H19N5O2 — CID 136631246

IUPAC(2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H19N5O2/c1-6(2)5-7(11)9(16)12-4-3-8-13-10(17)15-14-8/h6-7H,3-5,11H2,1-2H3,(H,12,16)(H2,13,14,15,17)/t7-/m0/s1
InChIKeyTZWVFAIXRRCQMF-ZETCQYMHSA-N
MW241.29 g/mol
LogP-0.87
Rot. Bonds6

About (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide (PubChem CID 136631246) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide
PubChem CID136631246
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H19N5O2/c1-6(2)5-7(11)9(16)12-4-3-8-13-10(17)15-14-8/h6-7H,3-5,11H2,1-2H3,(H,12,16)(H2,13,14,15,17)/t7-/m0/s1
InChIKeyTZWVFAIXRRCQMF-ZETCQYMHSA-N
XLogP-0.87
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide (CID 136631246) is (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide is CC(C)C[C@H](N)C(=O)NCCc1n[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide?
The InChIKey is TZWVFAIXRRCQMF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-6(2)5-7(11)9(16)12-4-3-8-13-10(17)15-14-8/h6-7H,3-5,11H2,1-2H3,(H,12,16)(H2,13,14,15,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide has a molecular weight of 241.29 g/mol, XLogP of -0.87, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 136631246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).