4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine

C13H16N8 — CID 105231007

IUPAC4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(NN)c2cnnn2-c2ccccc2)c1N
InChIInChI=1S/C13H16N8/c1-20-13(14)10(7-17-20)12(18-15)11-8-16-19-21(11)9-5-3-2-4-6-9/h2-8,12,18H,14-15H2,1H3
InChIKeyJRFVIVJLYQFBCU-UHFFFAOYSA-N
MW284.33 g/mol
LogP0.14
Rot. Bonds4

About 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine

4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine (PubChem CID 105231007) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine
PubChem CID105231007
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(NN)c2cnnn2-c2ccccc2)c1N
InChIInChI=1S/C13H16N8/c1-20-13(14)10(7-17-20)12(18-15)11-8-16-19-21(11)9-5-3-2-4-6-9/h2-8,12,18H,14-15H2,1H3
InChIKeyJRFVIVJLYQFBCU-UHFFFAOYSA-N
XLogP0.14
TPSA112.60 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

[(2-methylpyrimidin-4-yl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105260678
4-[(2-chlorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230692
[(5-fluoro-2-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105248565
4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230790
[(3-methyltriazol-4-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]hydrazine
CID 103129959
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
CID 103140237
1-(3-phenyltriazol-4-yl)butylhydrazine
CID 105202328
4-[hydrazinyl-(1-methylpyrazol-3-yl)methyl]-1-methylpyrazol-5-amine
CID 103140235
4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
CID 105230863
[(2-chloro-4-pyridinyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 105252908
[(2-methylcyclopentyl)-(3-phenyltriazol-4-yl)methyl]hydrazine
CID 107194806
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984

Frequently Asked Questions

What is the IUPAC name of 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine (CID 105231007) is 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine is Cn1ncc(C(NN)c2cnnn2-c2ccccc2)c1N.
What is the InChIKey of 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is JRFVIVJLYQFBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-20-13(14)10(7-17-20)12(18-15)11-8-16-19-21(11)9-5-3-2-4-6-9/h2-8,12,18H,14-15H2,1H3.
What are the key properties of 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine?
4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 284.33 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 105231007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).