(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride

C9H12Cl2N4 — CID 121209171

IUPAC(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cncc(-n2cccn2)c1
InChIInChI=1S/C9H10N4.2ClH/c10-5-8-4-9(7-11-6-8)13-3-1-2-12-13;;/h1-4,6-7H,5,10H2;2*1H
InChIKeyZSTUEJDNOTVFQW-UHFFFAOYSA-N
MW247.13 g/mol
LogP1.57
Rot. Bonds2

About (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride

(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride (PubChem CID 121209171) has the molecular formula C9H12Cl2N4 and a molecular weight of 247.13 g/mol. Its IUPAC name is (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride
PubChem CID121209171
Molecular FormulaC9H12Cl2N4
Molecular Weight247.13 g/mol
Exact Mass246.04
IUPAC Name(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cncc(-n2cccn2)c1
InChIInChI=1S/C9H10N4.2ClH/c10-5-8-4-9(7-11-6-8)13-3-1-2-12-13;;/h1-4,6-7H,5,10H2;2*1H
InChIKeyZSTUEJDNOTVFQW-UHFFFAOYSA-N
XLogP1.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-di(pyrazol-1-yl)pyridine
CID 58965564
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
3-bromo-5-pyrazol-1-ylpyridine
CID 66521212
3-fluoro-5-pyrazol-1-ylpyridine
CID 68804275
(5-piperidin-1-yl-3-pyridinyl)methanamine;dihydrochloride
CID 121209082
3-(4-bromophenyl)-5-pyrazol-1-ylpyridine
CID 167770873
N-ethyl-5-pyrazol-1-ylpyridin-3-amine
CID 104535894
bis((4-pyrazol-1-ylphenyl)methanamine);sulfuric acid
CID 163337704
2-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111425032
(5-fluoro-3-pyridinyl)methanamine;hydrochloride
CID 84819354
(5-fluoro-3-pyridinyl)methanamine;dihydrochloride
CID 119081474
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757

Frequently Asked Questions

What is the IUPAC name of (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride?
The IUPAC name of (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride (CID 121209171) is (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride.
What is the SMILES notation for (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride?
The canonical SMILES for (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride is Cl.Cl.NCc1cncc(-n2cccn2)c1.
What is the InChIKey of (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride?
The InChIKey is ZSTUEJDNOTVFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4.2ClH/c10-5-8-4-9(7-11-6-8)13-3-1-2-12-13;;/h1-4,6-7H,5,10H2;2*1H.
What are the key properties of (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride?
(5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride has a molecular weight of 247.13 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyrazol-1-yl-3-pyridinyl)methanamine;dihydrochloride is sourced from PubChem (CID 121209171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).