(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide

C11H21N5O — CID 64517863

IUPAC(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H21N5O/c1-5-7(2)10(12)11(17)16(4)6-9-13-8(3)14-15-9/h7,10H,5-6,12H2,1-4H3,(H,13,14,15)/t7?,10-/m0/s1
InChIKeyCCPDLODXCZQXDH-MHPPCMCBSA-N
MW239.32 g/mol
LogP0.44
Rot. Bonds5

About (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide

(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 64517863) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID64517863
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H21N5O/c1-5-7(2)10(12)11(17)16(4)6-9-13-8(3)14-15-9/h7,10H,5-6,12H2,1-4H3,(H,13,14,15)/t7?,10-/m0/s1
InChIKeyCCPDLODXCZQXDH-MHPPCMCBSA-N
XLogP0.44
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide (CID 64517863) is (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide is CCC(C)[C@H](N)C(=O)N(C)Cc1n[nH]c(C)n1.
What is the InChIKey of (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is CCPDLODXCZQXDH-MHPPCMCBSA-N. The full InChI is InChI=1S/C11H21N5O/c1-5-7(2)10(12)11(17)16(4)6-9-13-8(3)14-15-9/h7,10H,5-6,12H2,1-4H3,(H,13,14,15)/t7?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide?
(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 239.32 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 64517863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).