(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide

C9H17N5O — CID 104903173

IUPAC(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-6(2)3-7(10)9(15)11-4-8-12-5-13-14-8/h5-7H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,14)/t7-/m1/s1
InChIKeyOYZDODGAWGCHLG-SSDOTTSWSA-N
MW211.27 g/mol
LogP-0.21
Rot. Bonds5

About (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide

(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (PubChem CID 104903173) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
PubChem CID104903173
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
SMILESCC(C)C[C@@H](N)C(=O)NCc1ncn[nH]1
InChIInChI=1S/C9H17N5O/c1-6(2)3-7(10)9(15)11-4-8-12-5-13-14-8/h5-7H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,14)/t7-/m1/s1
InChIKeyOYZDODGAWGCHLG-SSDOTTSWSA-N
XLogP-0.21
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The IUPAC name of (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide (CID 104903173) is (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The canonical SMILES for (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is CC(C)C[C@@H](N)C(=O)NCc1ncn[nH]1.
What is the InChIKey of (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
The InChIKey is OYZDODGAWGCHLG-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(2)3-7(10)9(15)11-4-8-12-5-13-14-8/h5-7H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide?
(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide has a molecular weight of 211.27 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide is sourced from PubChem (CID 104903173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).