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

C10H19N5O2 — CID 136997103

IUPAC(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H19N5O2/c1-6(2)4-7(11)9(16)15(3)5-8-12-10(17)14-13-8/h6-7H,4-5,11H2,1-3H3,(H2,12,13,14,17)/t7-/m0/s1
InChIKeyDUXVMLRFYUQCPX-ZETCQYMHSA-N
MW241.29 g/mol
LogP-0.57
Rot. Bonds5

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

(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide (PubChem CID 136997103) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide
PubChem CID136997103
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)Cc1n[nH]c(=O)[nH]1
InChIInChI=1S/C10H19N5O2/c1-6(2)4-7(11)9(16)15(3)5-8-12-10(17)14-13-8/h6-7H,4-5,11H2,1-3H3,(H2,12,13,14,17)/t7-/m0/s1
InChIKeyDUXVMLRFYUQCPX-ZETCQYMHSA-N
XLogP-0.57
TPSA107.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide?
The IUPAC name of (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide (CID 136997103) is (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide is CC(C)C[C@H](N)C(=O)N(C)Cc1n[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide?
The InChIKey is DUXVMLRFYUQCPX-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-6(2)4-7(11)9(16)15(3)5-8-12-10(17)14-13-8/h6-7H,4-5,11H2,1-3H3,(H2,12,13,14,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide?
(2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide has a molecular weight of 241.29 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N,4-dimethyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]pentanamide is sourced from PubChem (CID 136997103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).