3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole

C17H17N7 — CID 22403013

IUPAC3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole
SMILESCc1nn(N2N=C(c3ccccc3)NN2c2ccccc2)nc1C
InChIInChI=1S/C17H17N7/c1-13-14(2)19-23(18-13)24-21-17(15-9-5-3-6-10-15)20-22(24)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21)
InChIKeyYEWWODGWOZFCSR-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.13
Rot. Bonds3

About 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole

3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole (PubChem CID 22403013) has the molecular formula C17H17N7 and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole.

Molecular Properties

Compound Name3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole
PubChem CID22403013
Molecular FormulaC17H17N7
Molecular Weight319.37 g/mol
Exact Mass319.15
IUPAC Name3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole
SMILESCc1nn(N2N=C(c3ccccc3)NN2c2ccccc2)nc1C
InChIInChI=1S/C17H17N7/c1-13-14(2)19-23(18-13)24-21-17(15-9-5-3-6-10-15)20-22(24)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21)
InChIKeyYEWWODGWOZFCSR-UHFFFAOYSA-N
XLogP2.13
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
4-[5-(4-carbamimidoylphenyl)-2H-triazol-4-yl]benzamidine
CID 71593949
4-[5-(4-Carbamimidoylphenyl)-2-phenyl-triazol-4-yl]benzamidine
CID 71593965
5-Methyl-4-phenyltriazol-1-amine
CID 12207441
N-[(E)-[(4,5-dimethyltriazol-2-yl)-phenylmethylidene]amino]aniline
CID 14381184
3-(4,5-Dimethyltriazol-2yl)-2,5 diphenyltetrazolium bromide
CID 22403012
2-(4,5-Dimethyltriazol-2-yl)-3,5-diphenyltetrazol-3-ium
CID 22465243
2-(4,5-Dimethyltriazol-2-yl)-2,5-diphenyltetrazol-2-ium
CID 67359495
4-benzyl-5-phenyl-2H-triazole
CID 90419782
4-phenyl-5-(1-phenylethenyl)-2H-triazole
CID 101859600
4-(5-phenyl-2H-triazol-4-yl)aniline
CID 153311532
N-[(Z)-[(4,5-dimethyltriazol-1-yl)-phenylmethylidene]amino]aniline
CID 101532427

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole?
The IUPAC name of 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole (CID 22403013) is 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole.
What is the SMILES notation for 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole?
The canonical SMILES for 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole is Cc1nn(N2N=C(c3ccccc3)NN2c2ccccc2)nc1C.
What is the InChIKey of 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole?
The InChIKey is YEWWODGWOZFCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7/c1-13-14(2)19-23(18-13)24-21-17(15-9-5-3-6-10-15)20-22(24)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,20,21).
What are the key properties of 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole?
3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole has a molecular weight of 319.37 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyltriazol-2-yl)-2,5-diphenyl-1H-tetrazole is sourced from PubChem (CID 22403013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).