[2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C14H17N5O — CID 103375226

IUPAC[2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCOc1ccc(-c2ncc3c(n2)CCC(CN)C3)nn1
InChIInChI=1S/C14H17N5O/c1-20-13-5-4-12(18-19-13)14-16-8-10-6-9(7-15)2-3-11(10)17-14/h4-5,8-9H,2-3,6-7,15H2,1H3
InChIKeyMJKJFTUBEUTYBP-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.01
Rot. Bonds3

About [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 103375226) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID103375226
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name[2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCOc1ccc(-c2ncc3c(n2)CCC(CN)C3)nn1
InChIInChI=1S/C14H17N5O/c1-20-13-5-4-12(18-19-13)14-16-8-10-6-9(7-15)2-3-11(10)17-14/h4-5,8-9H,2-3,6-7,15H2,1H3
InChIKeyMJKJFTUBEUTYBP-UHFFFAOYSA-N
XLogP1.01
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 103375226) is [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is COc1ccc(-c2ncc3c(n2)CCC(CN)C3)nn1.
What is the InChIKey of [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is MJKJFTUBEUTYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-20-13-5-4-12(18-19-13)14-16-8-10-6-9(7-15)2-3-11(10)17-14/h4-5,8-9H,2-3,6-7,15H2,1H3.
What are the key properties of [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 271.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methoxypyridazin-3-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 103375226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).