(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide

C8H15N5O — CID 39730547

IUPAC(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide
SMILESCc1nc(C)n(C[C@@H](C)C(=O)NN)n1
InChIInChI=1S/C8H15N5O/c1-5(8(14)11-9)4-13-7(3)10-6(2)12-13/h5H,4,9H2,1-3H3,(H,11,14)/t5-/m1/s1
InChIKeyRHDMJCXDWVTEKA-RXMQYKEDSA-N
MW197.24 g/mol
LogP-0.48
Rot. Bonds3

About (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide

(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide (PubChem CID 39730547) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide
PubChem CID39730547
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide
SMILESCc1nc(C)n(C[C@@H](C)C(=O)NN)n1
InChIInChI=1S/C8H15N5O/c1-5(8(14)11-9)4-13-7(3)10-6(2)12-13/h5H,4,9H2,1-3H3,(H,11,14)/t5-/m1/s1
InChIKeyRHDMJCXDWVTEKA-RXMQYKEDSA-N
XLogP-0.48
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide?
The IUPAC name of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide (CID 39730547) is (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide.
What is the SMILES notation for (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide?
The canonical SMILES for (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide is Cc1nc(C)n(C[C@@H](C)C(=O)NN)n1.
What is the InChIKey of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide?
The InChIKey is RHDMJCXDWVTEKA-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H15N5O/c1-5(8(14)11-9)4-13-7(3)10-6(2)12-13/h5H,4,9H2,1-3H3,(H,11,14)/t5-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide?
(2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide has a molecular weight of 197.24 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropanehydrazide is sourced from PubChem (CID 39730547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).