[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine

C10H13N7 — CID 80508808

IUPAC[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1N1CCn2cnnc2C1
InChIInChI=1S/C10H13N7/c11-5-8-1-2-12-15-10(8)16-3-4-17-7-13-14-9(17)6-16/h1-2,7H,3-6,11H2
InChIKeyQXLJVPNBULOVCM-UHFFFAOYSA-N
MW231.26 g/mol
LogP-0.45
Rot. Bonds2

About [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine

[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine (PubChem CID 80508808) has the molecular formula C10H13N7 and a molecular weight of 231.26 g/mol. Its IUPAC name is [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine
PubChem CID80508808
Molecular FormulaC10H13N7
Molecular Weight231.26 g/mol
Exact Mass231.12
IUPAC Name[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine
SMILESNCc1ccnnc1N1CCn2cnnc2C1
InChIInChI=1S/C10H13N7/c11-5-8-1-2-12-15-10(8)16-3-4-17-7-13-14-9(17)6-16/h1-2,7H,3-6,11H2
InChIKeyQXLJVPNBULOVCM-UHFFFAOYSA-N
XLogP-0.45
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine?
The IUPAC name of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine (CID 80508808) is [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine?
The canonical SMILES for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine is NCc1ccnnc1N1CCn2cnnc2C1.
What is the InChIKey of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine?
The InChIKey is QXLJVPNBULOVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7/c11-5-8-1-2-12-15-10(8)16-3-4-17-7-13-14-9(17)6-16/h1-2,7H,3-6,11H2.
What are the key properties of [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine?
[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine has a molecular weight of 231.26 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80508808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).