4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine

C14H16N6 — CID 103140237

IUPAC4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(NN)c2cccc3ccncc23)c1N
InChIInChI=1S/C14H16N6/c1-20-14(15)12(8-18-20)13(19-16)10-4-2-3-9-5-6-17-7-11(9)10/h2-8,13,19H,15-16H2,1H3
InChIKeyYQKQWKXNJZNDPH-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.10
Rot. Bonds3

About 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine

4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine (PubChem CID 103140237) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
PubChem CID103140237
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(C(NN)c2cccc3ccncc23)c1N
InChIInChI=1S/C14H16N6/c1-20-14(15)12(8-18-20)13(19-16)10-4-2-3-9-5-6-17-7-11(9)10/h2-8,13,19H,15-16H2,1H3
InChIKeyYQKQWKXNJZNDPH-UHFFFAOYSA-N
XLogP1.10
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-[hydrazinyl-(4-methyl-3-pyridinyl)methyl]-1-methylpyrazol-5-amine
CID 105230863
1-(1,5-dimethylpyrazol-4-yl)-1-isoquinolin-8-yl-N-methylmethanamine
CID 103136902
4-[(2,3-difluorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230790
4-[(2-chlorophenyl)-hydrazinylmethyl]-1-methylpyrazol-5-amine
CID 105230692
N-[(1,5-dimethylpyrazol-4-yl)-isoquinolin-8-ylmethyl]ethanamine
CID 103136936
[(3-bromo-2-fluorophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 107954360
[(2-fluoro-5-methylphenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103141724
[(4-bromophenyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103139727
[1H-imidazol-2-yl(isoquinolin-8-yl)methyl]hydrazine
CID 103140456
[(3-bromo-2-pyridinyl)-isoquinolin-8-ylmethyl]hydrazine
CID 103140603
4-[hydrazinyl-(3-phenyltriazol-4-yl)methyl]-1-methylpyrazol-5-amine
CID 105231007
N,N-diethyl-1-hydrazinyl-1-isoquinolin-8-yl-2-methylpropan-2-amine
CID 103140329

Frequently Asked Questions

What is the IUPAC name of 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine (CID 103140237) is 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine is Cn1ncc(C(NN)c2cccc3ccncc23)c1N.
What is the InChIKey of 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is YQKQWKXNJZNDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-20-14(15)12(8-18-20)13(19-16)10-4-2-3-9-5-6-17-7-11(9)10/h2-8,13,19H,15-16H2,1H3.
What are the key properties of 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine?
4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 268.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydrazinyl(isoquinolin-8-yl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 103140237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).