2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine

C15H10N6 — CID 174727422

IUPAC2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ncnc(-c2ccc3ccc(-n4cncn4)cc3c2)n1
InChIInChI=1S/C15H10N6/c1-2-12(15-18-7-16-8-19-15)5-13-6-14(4-3-11(1)13)21-10-17-9-20-21/h1-10H
InChIKeyOMXPKHYUUNITEW-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.27
Rot. Bonds2

About 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine

2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 174727422) has the molecular formula C15H10N6 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID174727422
Molecular FormulaC15H10N6
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ncnc(-c2ccc3ccc(-n4cncn4)cc3c2)n1
InChIInChI=1S/C15H10N6/c1-2-12(15-18-7-16-8-19-15)5-13-6-14(4-3-11(1)13)21-10-17-9-20-21/h1-10H
InChIKeyOMXPKHYUUNITEW-UHFFFAOYSA-N
XLogP2.27
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[7-[4,6-bis(7-indol-1-ylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]indole;2,4,6-tris[7-(triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine;2,4,6-tris[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 158822062
1-[3-((1,2-15N2)1,2,4-triazol-1-yl)phenyl]-(1,2-15N2)1,2,4-triazole
CID 71751577
[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]methanamine
CID 107275092
3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324544
3-(1,2,4-triazol-1-yl)phenol
CID 54592961
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1,2,4-triazol-1-yl)isoquinolin-3-yl]ethanone
CID 152940148
5-(1,2,4-triazol-1-yl)-1,3-dihydrobenzimidazol-2-one
CID 14751659
N-[[2-bromo-4-(1,2,4-triazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114060881
silver 3-(1,2,4-triazol-1-yl)benzenethiol
CID 23324543
2-[2,6-bis(1,3,5-triazin-2-yl)phenanthren-9-yl]-1,3,5-triazine
CID 121287228
2-[3-(4-imidazol-1-ylphenyl)phenyl]-1,3,5-triazine
CID 141294128
1-[4-(bromomethyl)-3-methylphenyl]-1,2,4-triazole
CID 107085675

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine (CID 174727422) is 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine is c1ncnc(-c2ccc3ccc(-n4cncn4)cc3c2)n1.
What is the InChIKey of 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is OMXPKHYUUNITEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6/c1-2-12(15-18-7-16-8-19-15)5-13-6-14(4-3-11(1)13)21-10-17-9-20-21/h1-10H.
What are the key properties of 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine?
2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 274.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1,2,4-triazol-1-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 174727422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).