3,5-diamino-1-methylpyrazole-4-carbonitrile

C5H7N5 — CID 12621028

IUPAC3,5-diamino-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(N)c(C#N)c1N
InChIInChI=1S/C5H7N5/c1-10-5(8)3(2-6)4(7)9-10/h8H2,1H3,(H2,7,9)
InChIKeyYWNOZSUNAYFPBE-UHFFFAOYSA-N
MW137.15 g/mol
LogP-0.54
Rot. Bonds

About 3,5-diamino-1-methylpyrazole-4-carbonitrile

3,5-diamino-1-methylpyrazole-4-carbonitrile (PubChem CID 12621028) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is 3,5-diamino-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-diamino-1-methylpyrazole-4-carbonitrile
PubChem CID12621028
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Name3,5-diamino-1-methylpyrazole-4-carbonitrile
SMILESCn1nc(N)c(C#N)c1N
InChIInChI=1S/C5H7N5/c1-10-5(8)3(2-6)4(7)9-10/h8H2,1H3,(H2,7,9)
InChIKeyYWNOZSUNAYFPBE-UHFFFAOYSA-N
XLogP-0.54
TPSA93.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3,5-diamino-1-methylpyrazole-4-carbonitrile (CID 12621028) is 3,5-diamino-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3,5-diamino-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3,5-diamino-1-methylpyrazole-4-carbonitrile is Cn1nc(N)c(C#N)c1N.
What is the InChIKey of 3,5-diamino-1-methylpyrazole-4-carbonitrile?
The InChIKey is YWNOZSUNAYFPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c1-10-5(8)3(2-6)4(7)9-10/h8H2,1H3,(H2,7,9).
What are the key properties of 3,5-diamino-1-methylpyrazole-4-carbonitrile?
3,5-diamino-1-methylpyrazole-4-carbonitrile has a molecular weight of 137.15 g/mol, XLogP of -0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 12621028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).