[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine

C13H13N7 — CID 105292082

IUPAC[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
SMILESNNC(c1cncnc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H13N7/c14-18-13(10-6-15-9-16-7-10)12-8-17-20(19-12)11-4-2-1-3-5-11/h1-9,13,18H,14H2
InChIKeyRIKSOVBDJFNKTJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.61
Rot. Bonds4

About [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine

[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine (PubChem CID 105292082) has the molecular formula C13H13N7 and a molecular weight of 267.30 g/mol. Its IUPAC name is [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
PubChem CID105292082
Molecular FormulaC13H13N7
Molecular Weight267.30 g/mol
Exact Mass267.12
IUPAC Name[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
SMILESNNC(c1cncnc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H13N7/c14-18-13(10-6-15-9-16-7-10)12-8-17-20(19-12)11-4-2-1-3-5-11/h1-9,13,18H,14H2
InChIKeyRIKSOVBDJFNKTJ-UHFFFAOYSA-N
XLogP0.61
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105308192
1-(4-fluorophenyl)-N-methyl-1-(2-phenyltriazol-4-yl)methanamine
CID 105088239
[cyclopentyl-(2-phenyltriazol-4-yl)methyl]hydrazine
CID 105282381
[(4-phenylphenyl)-pyrimidin-5-ylmethyl]hydrazine
CID 102924210
[3-methyl-1-(2-phenyltriazol-4-yl)pentyl]hydrazine
CID 105298472
[2-(2-methyltetrazol-5-yl)-1-(2-phenyltriazol-4-yl)ethyl]hydrazine
CID 107066810
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)methanamine
CID 105148730
N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149998
N-[furan-3-yl-(2-phenyltriazol-4-yl)methyl]ethanamine
CID 105146680
[2-(1-methylpyrazol-4-yl)-1-(2-phenyltriazol-4-yl)ethyl]hydrazine
CID 105291066
(2-phenyltriazol-4-yl)-thiophen-3-ylmethanol
CID 105102746
(2-chlorophenyl)-(2-phenyltriazol-4-yl)methanamine
CID 105099586

Frequently Asked Questions

What is the IUPAC name of [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine?
The IUPAC name of [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine (CID 105292082) is [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine.
What is the SMILES notation for [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine?
The canonical SMILES for [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine is NNC(c1cncnc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine?
The InChIKey is RIKSOVBDJFNKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7/c14-18-13(10-6-15-9-16-7-10)12-8-17-20(19-12)11-4-2-1-3-5-11/h1-9,13,18H,14H2.
What are the key properties of [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine?
[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine has a molecular weight of 267.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine is sourced from PubChem (CID 105292082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).