1-methylpyrazole-3,4-diamine

C4H8N4 — CID 15166013

IUPAC1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(N)n1
InChIInChI=1S/C4H8N4/c1-8-2-3(5)4(6)7-8/h2H,5H2,1H3,(H2,6,7)
InChIKeyLOQVLQHJQFWANA-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.42
Rot. Bonds

About 1-methylpyrazole-3,4-diamine

1-methylpyrazole-3,4-diamine (PubChem CID 15166013) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is 1-methylpyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methylpyrazole-3,4-diamine
PubChem CID15166013
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC Name1-methylpyrazole-3,4-diamine
SMILESCn1cc(N)c(N)n1
InChIInChI=1S/C4H8N4/c1-8-2-3(5)4(6)7-8/h2H,5H2,1H3,(H2,6,7)
InChIKeyLOQVLQHJQFWANA-UHFFFAOYSA-N
XLogP-0.42
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.42
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?
The IUPAC name of 1-methylpyrazole-3,4-diamine (CID 15166013) is 1-methylpyrazole-3,4-diamine.
What is the SMILES notation for 1-methylpyrazole-3,4-diamine?
The canonical SMILES for 1-methylpyrazole-3,4-diamine is Cn1cc(N)c(N)n1.
What is the InChIKey of 1-methylpyrazole-3,4-diamine?
The InChIKey is LOQVLQHJQFWANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-8-2-3(5)4(6)7-8/h2H,5H2,1H3,(H2,6,7).
What are the key properties of 1-methylpyrazole-3,4-diamine?
1-methylpyrazole-3,4-diamine has a molecular weight of 112.14 g/mol, XLogP of -0.42, 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 is sourced from PubChem (CID 15166013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).