(1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine

C11H10N6 — CID 55153163

IUPAC(1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(-c2nncc3ccccc23)n1
InChIInChI=1S/C11H10N6/c12-5-10-13-7-17(16-10)11-9-4-2-1-3-8(9)6-14-15-11/h1-4,6-7H,5,12H2
InChIKeyMLUURTWHSJPYOK-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.67
Rot. Bonds2

About (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine

(1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine (PubChem CID 55153163) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine
PubChem CID55153163
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name(1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine
SMILESNCc1ncn(-c2nncc3ccccc23)n1
InChIInChI=1S/C11H10N6/c12-5-10-13-7-17(16-10)11-9-4-2-1-3-8(9)6-14-15-11/h1-4,6-7H,5,12H2
InChIKeyMLUURTWHSJPYOK-UHFFFAOYSA-N
XLogP0.67
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine (CID 55153163) is (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine is NCc1ncn(-c2nncc3ccccc23)n1.
What is the InChIKey of (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is MLUURTWHSJPYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6/c12-5-10-13-7-17(16-10)11-9-4-2-1-3-8(9)6-14-15-11/h1-4,6-7H,5,12H2.
What are the key properties of (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine?
(1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 226.24 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phthalazin-1-yl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 55153163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).