(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine

C13H13N5 — CID 104721406

IUPAC(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
SMILESCn1c(-c2ccnnc2)nc2c(CN)cccc21
InChIInChI=1S/C13H13N5/c1-18-11-4-2-3-9(7-14)12(11)17-13(18)10-5-6-15-16-8-10/h2-6,8H,7,14H2,1H3
InChIKeyVHJUBLIJRQEOHE-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.49
Rot. Bonds2

About (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine

(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine (PubChem CID 104721406) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
PubChem CID104721406
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine
SMILESCn1c(-c2ccnnc2)nc2c(CN)cccc21
InChIInChI=1S/C13H13N5/c1-18-11-4-2-3-9(7-14)12(11)17-13(18)10-5-6-15-16-8-10/h2-6,8H,7,14H2,1H3
InChIKeyVHJUBLIJRQEOHE-UHFFFAOYSA-N
XLogP1.49
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine?
The IUPAC name of (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine (CID 104721406) is (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine.
What is the SMILES notation for (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine?
The canonical SMILES for (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine is Cn1c(-c2ccnnc2)nc2c(CN)cccc21.
What is the InChIKey of (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine?
The InChIKey is VHJUBLIJRQEOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-11-4-2-3-9(7-14)12(11)17-13(18)10-5-6-15-16-8-10/h2-6,8H,7,14H2,1H3.
What are the key properties of (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine?
(1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine has a molecular weight of 239.28 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2-pyridazin-4-ylbenzimidazol-4-yl)methanamine is sourced from PubChem (CID 104721406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).