1H-pyrazole-4,5-diamine;dihydrochloride

C3H8Cl2N4 — CID 21222877

IUPAC1H-pyrazole-4,5-diamine;dihydrochloride
SMILESCl.Cl.Nc1cn[nH]c1N
InChIInChI=1S/C3H6N4.2ClH/c4-2-1-6-7-3(2)5;;/h1H,4H2,(H3,5,6,7);2*1H
InChIKeyLDWUEWGGIOHZSR-UHFFFAOYSA-N
MW171.03 g/mol
LogP0.42
Rot. Bonds

About 1H-pyrazole-4,5-diamine;dihydrochloride

1H-pyrazole-4,5-diamine;dihydrochloride (PubChem CID 21222877) has the molecular formula C3H8Cl2N4 and a molecular weight of 171.03 g/mol. Its IUPAC name is 1H-pyrazole-4,5-diamine;dihydrochloride.

Molecular Properties

Compound Name1H-pyrazole-4,5-diamine;dihydrochloride
PubChem CID21222877
Molecular FormulaC3H8Cl2N4
Molecular Weight171.03 g/mol
Exact Mass170.01
IUPAC Name1H-pyrazole-4,5-diamine;dihydrochloride
SMILESCl.Cl.Nc1cn[nH]c1N
InChIInChI=1S/C3H6N4.2ClH/c4-2-1-6-7-3(2)5;;/h1H,4H2,(H3,5,6,7);2*1H
InChIKeyLDWUEWGGIOHZSR-UHFFFAOYSA-N
XLogP0.42
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.03
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-4,5-diamine;dihydrochloride?
The IUPAC name of 1H-pyrazole-4,5-diamine;dihydrochloride (CID 21222877) is 1H-pyrazole-4,5-diamine;dihydrochloride.
What is the SMILES notation for 1H-pyrazole-4,5-diamine;dihydrochloride?
The canonical SMILES for 1H-pyrazole-4,5-diamine;dihydrochloride is Cl.Cl.Nc1cn[nH]c1N.
What is the InChIKey of 1H-pyrazole-4,5-diamine;dihydrochloride?
The InChIKey is LDWUEWGGIOHZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.2ClH/c4-2-1-6-7-3(2)5;;/h1H,4H2,(H3,5,6,7);2*1H.
What are the key properties of 1H-pyrazole-4,5-diamine;dihydrochloride?
1H-pyrazole-4,5-diamine;dihydrochloride has a molecular weight of 171.03 g/mol, XLogP of 0.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-4,5-diamine;dihydrochloride is sourced from PubChem (CID 21222877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).