bis(3-methylpyrazol-1-yl)methanediamine

C9H14N6 — CID 59168851

IUPACbis(3-methylpyrazol-1-yl)methanediamine
SMILESCc1ccn(C(N)(N)n2ccc(C)n2)n1
InChIInChI=1S/C9H14N6/c1-7-3-5-14(12-7)9(10,11)15-6-4-8(2)13-15/h3-6H,10-11H2,1-2H3
InChIKeyWLQLHIIQAANBMQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.27
Rot. Bonds2

About bis(3-methylpyrazol-1-yl)methanediamine

bis(3-methylpyrazol-1-yl)methanediamine (PubChem CID 59168851) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is bis(3-methylpyrazol-1-yl)methanediamine.

Molecular Properties

Compound Namebis(3-methylpyrazol-1-yl)methanediamine
PubChem CID59168851
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Namebis(3-methylpyrazol-1-yl)methanediamine
SMILESCc1ccn(C(N)(N)n2ccc(C)n2)n1
InChIInChI=1S/C9H14N6/c1-7-3-5-14(12-7)9(10,11)15-6-4-8(2)13-15/h3-6H,10-11H2,1-2H3
InChIKeyWLQLHIIQAANBMQ-UHFFFAOYSA-N
XLogP-0.27
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(3-methylpyrazol-1-yl)methanediamine?
The IUPAC name of bis(3-methylpyrazol-1-yl)methanediamine (CID 59168851) is bis(3-methylpyrazol-1-yl)methanediamine.
What is the SMILES notation for bis(3-methylpyrazol-1-yl)methanediamine?
The canonical SMILES for bis(3-methylpyrazol-1-yl)methanediamine is Cc1ccn(C(N)(N)n2ccc(C)n2)n1.
What is the InChIKey of bis(3-methylpyrazol-1-yl)methanediamine?
The InChIKey is WLQLHIIQAANBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-7-3-5-14(12-7)9(10,11)15-6-4-8(2)13-15/h3-6H,10-11H2,1-2H3.
What are the key properties of bis(3-methylpyrazol-1-yl)methanediamine?
bis(3-methylpyrazol-1-yl)methanediamine has a molecular weight of 206.25 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylpyrazol-1-yl)methanediamine is sourced from PubChem (CID 59168851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).