4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile

C14H15N5 — CID 114481225

IUPAC4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1CN1CCn2cnnc2C1
InChIInChI=1S/C14H15N5/c1-11-6-12(7-15)2-3-13(11)8-18-4-5-19-10-16-17-14(19)9-18/h2-3,6,10H,4-5,8-9H2,1H3
InChIKeyYAVXTWGQHXLNSU-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.47
Rot. Bonds2

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

4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile (PubChem CID 114481225) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile.

Molecular Properties

Compound Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile
PubChem CID114481225
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1CN1CCn2cnnc2C1
InChIInChI=1S/C14H15N5/c1-11-6-12(7-15)2-3-13(11)8-18-4-5-19-10-16-17-14(19)9-18/h2-3,6,10H,4-5,8-9H2,1H3
InChIKeyYAVXTWGQHXLNSU-UHFFFAOYSA-N
XLogP1.47
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile?
The IUPAC name of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile (CID 114481225) is 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile.
What is the SMILES notation for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile?
The canonical SMILES for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile is Cc1cc(C#N)ccc1CN1CCn2cnnc2C1.
What is the InChIKey of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile?
The InChIKey is YAVXTWGQHXLNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11-6-12(7-15)2-3-13(11)8-18-4-5-19-10-16-17-14(19)9-18/h2-3,6,10H,4-5,8-9H2,1H3.
What are the key properties of 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile?
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylmethyl)-3-methylbenzonitrile is sourced from PubChem (CID 114481225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).