3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine

C19H20N4 — CID 82370682

IUPAC3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3ccc4c(c3)CCCC4)c2N)cc1
InChIInChI=1S/C19H20N4/c1-13-6-10-17(11-7-13)23-19(20)18(21-22-23)16-9-8-14-4-2-3-5-15(14)12-16/h6-12H,2-5,20H2,1H3
InChIKeyNWKJXAFSPKMUEG-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.70
Rot. Bonds2

About 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine

3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine (PubChem CID 82370682) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine
PubChem CID82370682
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine
SMILESCc1ccc(-n2nnc(-c3ccc4c(c3)CCCC4)c2N)cc1
InChIInChI=1S/C19H20N4/c1-13-6-10-17(11-7-13)23-19(20)18(21-22-23)16-9-8-14-4-2-3-5-15(14)12-16/h6-12H,2-5,20H2,1H3
InChIKeyNWKJXAFSPKMUEG-UHFFFAOYSA-N
XLogP3.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3,4-difluorophenyl)-3-(4-methylphenyl)triazol-4-amine
CID 82370705
5-(4-methylphenyl)-3-phenyltriazol-4-amine
CID 82370748
5-(3,4-dimethylphenyl)-3-(4-fluorophenyl)triazol-4-amine
CID 82370210
6-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 82055303
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
3,5-bis(4-fluorophenyl)triazol-4-amine
CID 82370214
3-(4-methylphenyl)-5-pyridin-2-yltriazol-4-amine
CID 82370698
1-(2,3-dihydro-1H-inden-5-yl)tetrazol-5-amine
CID 79506398
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)triazol-4-amine
CID 53034257
2,3-dimethyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068493
2-(5,6,7,8-tetrahydronaphthalen-2-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-amine
CID 83969556
3,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[1,2-a]pyridin-6-amine
CID 82060083

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine?
The IUPAC name of 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine (CID 82370682) is 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine.
What is the SMILES notation for 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine?
The canonical SMILES for 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine is Cc1ccc(-n2nnc(-c3ccc4c(c3)CCCC4)c2N)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine?
The InChIKey is NWKJXAFSPKMUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-13-6-10-17(11-7-13)23-19(20)18(21-22-23)16-9-8-14-4-2-3-5-15(14)12-16/h6-12H,2-5,20H2,1H3.
What are the key properties of 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine?
3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine has a molecular weight of 304.40 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-(5,6,7,8-tetrahydronaphthalen-2-yl)triazol-4-amine is sourced from PubChem (CID 82370682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).