[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine

C14H13ClN6 — CID 105252908

IUPAC[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
SMILESNNC(c1ccnc(Cl)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H13ClN6/c15-13-8-10(6-7-17-13)14(19-16)12-9-18-20-21(12)11-4-2-1-3-5-11/h1-9,14,19H,16H2
InChIKeyMQOZEZRWOALGBY-UHFFFAOYSA-N
MW300.75 g/mol
LogP1.87
Rot. Bonds4

About [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine

[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine (PubChem CID 105252908) has the molecular formula C14H13ClN6 and a molecular weight of 300.75 g/mol. Its IUPAC name is [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
PubChem CID105252908
Molecular FormulaC14H13ClN6
Molecular Weight300.75 g/mol
Exact Mass300.09
IUPAC Name[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
SMILESNNC(c1ccnc(Cl)c1)c1cnnn1-c1ccccc1
InChIInChI=1S/C14H13ClN6/c15-13-8-10(6-7-17-13)14(19-16)12-9-18-20-21(12)11-4-2-1-3-5-11/h1-9,14,19H,16H2
InChIKeyMQOZEZRWOALGBY-UHFFFAOYSA-N
XLogP1.87
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2-chloro-4-pyridinyl)-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105252709
[(2-methylpyrimidin-4-yl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105260678
[(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105248565
3-[(2-chloro-4-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105252731
4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine
CID 105231007
(3-chloro-2-pyridinyl)-(3-phenyltriazol-4-yl)methanamine
CID 103443749
[1-(3-phenyltriazol-4-yl)-2-pyridin-2-ylethyl]hydrazine
CID 105200047
[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine
CID 105252599
N-methyl-1-(2-methylpyrimidin-4-yl)-1-(3-phenyltriazol-4-yl)methanamine
CID 114688914
(3-phenyltriazol-4-yl)-pyridazin-4-ylmethanol
CID 105128605
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
[(2-chloro-4-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105252881

Frequently Asked Questions

What is the IUPAC name of [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine (CID 105252908) is [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine is NNC(c1ccnc(Cl)c1)c1cnnn1-c1ccccc1.
What is the InChIKey of [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
The InChIKey is MQOZEZRWOALGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6/c15-13-8-10(6-7-17-13)14(19-16)12-9-18-20-21(12)11-4-2-1-3-5-11/h1-9,14,19H,16H2.
What are the key properties of [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine?
[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine has a molecular weight of 300.75 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105252908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).