5-N,1,4-trimethylpyrazole-3,5-diamine

C6H12N4 — CID 58579600

IUPAC5-N,1,4-trimethylpyrazole-3,5-diamine
SMILESCNc1c(C)c(N)nn1C
InChIInChI=1S/C6H12N4/c1-4-5(7)9-10(3)6(4)8-2/h8H,1-3H3,(H2,7,9)
InChIKeyTXDSROZCGMAKQS-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.35
Rot. Bonds1

About 5-N,1,4-trimethylpyrazole-3,5-diamine

5-N,1,4-trimethylpyrazole-3,5-diamine (PubChem CID 58579600) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 5-N,1,4-trimethylpyrazole-3,5-diamine.

Molecular Properties

Compound Name5-N,1,4-trimethylpyrazole-3,5-diamine
PubChem CID58579600
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name5-N,1,4-trimethylpyrazole-3,5-diamine
SMILESCNc1c(C)c(N)nn1C
InChIInChI=1S/C6H12N4/c1-4-5(7)9-10(3)6(4)8-2/h8H,1-3H3,(H2,7,9)
InChIKeyTXDSROZCGMAKQS-UHFFFAOYSA-N
XLogP0.35
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N,1,4-trimethylpyrazole-3,5-diamine?
The IUPAC name of 5-N,1,4-trimethylpyrazole-3,5-diamine (CID 58579600) is 5-N,1,4-trimethylpyrazole-3,5-diamine.
What is the SMILES notation for 5-N,1,4-trimethylpyrazole-3,5-diamine?
The canonical SMILES for 5-N,1,4-trimethylpyrazole-3,5-diamine is CNc1c(C)c(N)nn1C.
What is the InChIKey of 5-N,1,4-trimethylpyrazole-3,5-diamine?
The InChIKey is TXDSROZCGMAKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4/c1-4-5(7)9-10(3)6(4)8-2/h8H,1-3H3,(H2,7,9).
What are the key properties of 5-N,1,4-trimethylpyrazole-3,5-diamine?
5-N,1,4-trimethylpyrazole-3,5-diamine has a molecular weight of 140.19 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1,4-trimethylpyrazole-3,5-diamine is sourced from PubChem (CID 58579600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).