[1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine

C8H10N6 — CID 62951080

IUPAC[1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2cnc(CN)n2)nn1
InChIInChI=1S/C8H10N6/c1-6-2-3-8(12-11-6)14-5-10-7(4-9)13-14/h2-3,5H,4,9H2,1H3
InChIKeyAUTDLZNEAIQEAX-UHFFFAOYSA-N
MW190.21 g/mol
LogP-0.18
Rot. Bonds2

About [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine

[1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 62951080) has the molecular formula C8H10N6 and a molecular weight of 190.21 g/mol. Its IUPAC name is [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine
PubChem CID62951080
Molecular FormulaC8H10N6
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name[1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2cnc(CN)n2)nn1
InChIInChI=1S/C8H10N6/c1-6-2-3-8(12-11-6)14-5-10-7(4-9)13-14/h2-3,5H,4,9H2,1H3
InChIKeyAUTDLZNEAIQEAX-UHFFFAOYSA-N
XLogP-0.18
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine (CID 62951080) is [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine is Cc1ccc(-n2cnc(CN)n2)nn1.
What is the InChIKey of [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is AUTDLZNEAIQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6/c1-6-2-3-8(12-11-6)14-5-10-7(4-9)13-14/h2-3,5H,4,9H2,1H3.
What are the key properties of [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine?
[1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 190.21 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methylpyridazin-3-yl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 62951080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).