3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine

C9H12ClN7 — CID 105231228

IUPAC3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
SMILESNNC(c1cc(Cl)cnc1N)c1cn[nH]c1N
InChIInChI=1S/C9H12ClN7/c10-4-1-5(8(11)14-2-4)7(16-13)6-3-15-17-9(6)12/h1-3,7,16H,13H2,(H2,11,14)(H3,12,15,17)
InChIKeyUUBCUKHULLCULF-UHFFFAOYSA-N
MW253.70 g/mol
LogP0.18
Rot. Bonds3

About 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine

3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine (PubChem CID 105231228) has the molecular formula C9H12ClN7 and a molecular weight of 253.70 g/mol. Its IUPAC name is 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine.

Molecular Properties

Compound Name3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
PubChem CID105231228
Molecular FormulaC9H12ClN7
Molecular Weight253.70 g/mol
Exact Mass253.08
IUPAC Name3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
SMILESNNC(c1cc(Cl)cnc1N)c1cn[nH]c1N
InChIInChI=1S/C9H12ClN7/c10-4-1-5(8(11)14-2-4)7(16-13)6-3-15-17-9(6)12/h1-3,7,16H,13H2,(H2,11,14)(H3,12,15,17)
InChIKeyUUBCUKHULLCULF-UHFFFAOYSA-N
XLogP0.18
TPSA131.66 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.70
LogP ≤ 50.18
H-Bond Donors ≤ 55
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

3-[(5-amino-1-methylpyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine
CID 105230884
5-chloro-3-[hydrazinyl(phenyl)methyl]pyridin-2-amine
CID 105199320
4-[(2-chloro-5-fluorophenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105397851
5-chloro-3-[hydrazinyl(1H-imidazol-2-yl)methyl]pyridin-2-amine
CID 105252211
5-chloro-3-[(2-chloro-4-fluorophenyl)-hydrazinylmethyl]pyridin-2-amine
CID 105215434
5-chloro-3-[(3-ethyl-2-pyridinyl)-hydrazinylmethyl]pyridin-2-amine
CID 105263852
5-chloro-3-[hydrazinyl-(2-methylpyrimidin-4-yl)methyl]pyridin-2-amine
CID 105260556
4-[(4-fluorophenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105231191
5-chloro-3-[hydrazinyl-(4-methoxy-3-methylphenyl)methyl]pyridin-2-amine
CID 105258421
1-(2-amino-5-chloro-3-pyridinyl)ethane-1,2-diamine
CID 55273513
(2R)-2-amino-2-(2-amino-5-chloro-3-pyridinyl)ethanol
CID 130710939
4-[(4-ethylphenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105231284

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine?
The IUPAC name of 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine (CID 105231228) is 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine.
What is the SMILES notation for 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine?
The canonical SMILES for 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine is NNC(c1cc(Cl)cnc1N)c1cn[nH]c1N.
What is the InChIKey of 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine?
The InChIKey is UUBCUKHULLCULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN7/c10-4-1-5(8(11)14-2-4)7(16-13)6-3-15-17-9(6)12/h1-3,7,16H,13H2,(H2,11,14)(H3,12,15,17).
What are the key properties of 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine?
3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine has a molecular weight of 253.70 g/mol, XLogP of 0.18, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1H-pyrazol-4-yl)-hydrazinylmethyl]-5-chloropyridin-2-amine is sourced from PubChem (CID 105231228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).