3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline

C14H14N6 — CID 62761649

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
SMILESCn1cnnc1-c1cccc(NCc2cnccn2)c1
InChIInChI=1S/C14H14N6/c1-20-10-18-19-14(20)11-3-2-4-12(7-11)17-9-13-8-15-5-6-16-13/h2-8,10,17H,9H2,1H3
InChIKeyDCBJSHXMWONBNX-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.88
Rot. Bonds4

About 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline

3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 62761649) has the molecular formula C14H14N6 and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
PubChem CID62761649
Molecular FormulaC14H14N6
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
SMILESCn1cnnc1-c1cccc(NCc2cnccn2)c1
InChIInChI=1S/C14H14N6/c1-20-10-18-19-14(20)11-3-2-4-12(7-11)17-9-13-8-15-5-6-16-13/h2-8,10,17H,9H2,1H3
InChIKeyDCBJSHXMWONBNX-UHFFFAOYSA-N
XLogP1.88
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline (CID 62761649) is 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline is Cn1cnnc1-c1cccc(NCc2cnccn2)c1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is DCBJSHXMWONBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6/c1-20-10-18-19-14(20)11-3-2-4-12(7-11)17-9-13-8-15-5-6-16-13/h2-8,10,17H,9H2,1H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline?
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 266.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 62761649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).