1-methylpyrazole-3,4-diamine;dihydrochloride

C4H10Cl2N4 — CID 75531037

IUPAC1-methylpyrazole-3,4-diamine;dihydrochloride
SMILESCl.Cl.Cn1cc(N)c(N)n1
InChIInChI=1S/C4H8N4.2ClH/c1-8-2-3(5)4(6)7-8;;/h2H,5H2,1H3,(H2,6,7);2*1H
InChIKeyVZQLCVRAKGSMQM-UHFFFAOYSA-N
MW185.06 g/mol
LogP0.43
Rot. Bonds

About 1-methylpyrazole-3,4-diamine;dihydrochloride

1-methylpyrazole-3,4-diamine;dihydrochloride (PubChem CID 75531037) has the molecular formula C4H10Cl2N4 and a molecular weight of 185.06 g/mol. Its IUPAC name is 1-methylpyrazole-3,4-diamine;dihydrochloride.

Molecular Properties

Compound Name1-methylpyrazole-3,4-diamine;dihydrochloride
PubChem CID75531037
Molecular FormulaC4H10Cl2N4
Molecular Weight185.06 g/mol
Exact Mass184.03
IUPAC Name1-methylpyrazole-3,4-diamine;dihydrochloride
SMILESCl.Cl.Cn1cc(N)c(N)n1
InChIInChI=1S/C4H8N4.2ClH/c1-8-2-3(5)4(6)7-8;;/h2H,5H2,1H3,(H2,6,7);2*1H
InChIKeyVZQLCVRAKGSMQM-UHFFFAOYSA-N
XLogP0.43
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.06
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-3,4-diamine;dihydrochloride?
The IUPAC name of 1-methylpyrazole-3,4-diamine;dihydrochloride (CID 75531037) is 1-methylpyrazole-3,4-diamine;dihydrochloride.
What is the SMILES notation for 1-methylpyrazole-3,4-diamine;dihydrochloride?
The canonical SMILES for 1-methylpyrazole-3,4-diamine;dihydrochloride is Cl.Cl.Cn1cc(N)c(N)n1.
What is the InChIKey of 1-methylpyrazole-3,4-diamine;dihydrochloride?
The InChIKey is VZQLCVRAKGSMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.2ClH/c1-8-2-3(5)4(6)7-8;;/h2H,5H2,1H3,(H2,6,7);2*1H.
What are the key properties of 1-methylpyrazole-3,4-diamine;dihydrochloride?
1-methylpyrazole-3,4-diamine;dihydrochloride has a molecular weight of 185.06 g/mol, XLogP of 0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-3,4-diamine;dihydrochloride is sourced from PubChem (CID 75531037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).