(2,4,5-trimethylpyrazol-3-yl)methanediamine

C7H14N4 — CID 91318690

IUPAC(2,4,5-trimethylpyrazol-3-yl)methanediamine
SMILESCc1nn(C)c(C(N)N)c1C
InChIInChI=1S/C7H14N4/c1-4-5(2)10-11(3)6(4)7(8)9/h7H,8-9H2,1-3H3
InChIKeyVCWPZQSSEGZMOS-UHFFFAOYSA-N
MW154.22 g/mol
LogP-0.05
Rot. Bonds1

About (2,4,5-trimethylpyrazol-3-yl)methanediamine

(2,4,5-trimethylpyrazol-3-yl)methanediamine (PubChem CID 91318690) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is (2,4,5-trimethylpyrazol-3-yl)methanediamine.

Molecular Properties

Compound Name(2,4,5-trimethylpyrazol-3-yl)methanediamine
PubChem CID91318690
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name(2,4,5-trimethylpyrazol-3-yl)methanediamine
SMILESCc1nn(C)c(C(N)N)c1C
InChIInChI=1S/C7H14N4/c1-4-5(2)10-11(3)6(4)7(8)9/h7H,8-9H2,1-3H3
InChIKeyVCWPZQSSEGZMOS-UHFFFAOYSA-N
XLogP-0.05
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (2,4,5-trimethylpyrazol-3-yl)methanediamine?
The IUPAC name of (2,4,5-trimethylpyrazol-3-yl)methanediamine (CID 91318690) is (2,4,5-trimethylpyrazol-3-yl)methanediamine.
What is the SMILES notation for (2,4,5-trimethylpyrazol-3-yl)methanediamine?
The canonical SMILES for (2,4,5-trimethylpyrazol-3-yl)methanediamine is Cc1nn(C)c(C(N)N)c1C.
What is the InChIKey of (2,4,5-trimethylpyrazol-3-yl)methanediamine?
The InChIKey is VCWPZQSSEGZMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-4-5(2)10-11(3)6(4)7(8)9/h7H,8-9H2,1-3H3.
What are the key properties of (2,4,5-trimethylpyrazol-3-yl)methanediamine?
(2,4,5-trimethylpyrazol-3-yl)methanediamine has a molecular weight of 154.22 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trimethylpyrazol-3-yl)methanediamine is sourced from PubChem (CID 91318690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).