1-methylpyrazole-4,5-diamine;hydrochloride

C4H9ClN4 — CID 68601034

IUPAC1-methylpyrazole-4,5-diamine;hydrochloride
SMILESCl.Cn1ncc(N)c1N
InChIInChI=1S/C4H8N4.ClH/c1-8-4(6)3(5)2-7-8;/h2H,5-6H2,1H3;1H
InChIKeyOSIGRVFJKMDYNN-UHFFFAOYSA-N
MW148.60 g/mol
LogP0.01
Rot. Bonds

About 1-methylpyrazole-4,5-diamine;hydrochloride

1-methylpyrazole-4,5-diamine;hydrochloride (PubChem CID 68601034) has the molecular formula C4H9ClN4 and a molecular weight of 148.60 g/mol. Its IUPAC name is 1-methylpyrazole-4,5-diamine;hydrochloride.

Molecular Properties

Compound Name1-methylpyrazole-4,5-diamine;hydrochloride
PubChem CID68601034
Molecular FormulaC4H9ClN4
Molecular Weight148.60 g/mol
Exact Mass148.05
IUPAC Name1-methylpyrazole-4,5-diamine;hydrochloride
SMILESCl.Cn1ncc(N)c1N
InChIInChI=1S/C4H8N4.ClH/c1-8-4(6)3(5)2-7-8;/h2H,5-6H2,1H3;1H
InChIKeyOSIGRVFJKMDYNN-UHFFFAOYSA-N
XLogP0.01
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.60
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-4,5-diamine;hydrochloride?
The IUPAC name of 1-methylpyrazole-4,5-diamine;hydrochloride (CID 68601034) is 1-methylpyrazole-4,5-diamine;hydrochloride.
What is the SMILES notation for 1-methylpyrazole-4,5-diamine;hydrochloride?
The canonical SMILES for 1-methylpyrazole-4,5-diamine;hydrochloride is Cl.Cn1ncc(N)c1N.
What is the InChIKey of 1-methylpyrazole-4,5-diamine;hydrochloride?
The InChIKey is OSIGRVFJKMDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.ClH/c1-8-4(6)3(5)2-7-8;/h2H,5-6H2,1H3;1H.
What are the key properties of 1-methylpyrazole-4,5-diamine;hydrochloride?
1-methylpyrazole-4,5-diamine;hydrochloride has a molecular weight of 148.60 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-4,5-diamine;hydrochloride is sourced from PubChem (CID 68601034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).