5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole

C15H18N4O — CID 125485731

IUPAC5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole
SMILESCOc1ccc(C2=CC[C@@H](c3nn[nH]n3)[C@H](C)C2)cc1
InChIInChI=1S/C15H18N4O/c1-10-9-12(11-3-6-13(20-2)7-4-11)5-8-14(10)15-16-18-19-17-15/h3-7,10,14H,8-9H2,1-2H3,(H,16,17,18,19)/t10-,14-/m1/s1
InChIKeyDNTWFKIGRBSZBC-QMTHXVAHSA-N
MW270.34 g/mol
LogP2.81
Rot. Bonds3

About 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole

5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole (PubChem CID 125485731) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole
PubChem CID125485731
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole
SMILESCOc1ccc(C2=CC[C@@H](c3nn[nH]n3)[C@H](C)C2)cc1
InChIInChI=1S/C15H18N4O/c1-10-9-12(11-3-6-13(20-2)7-4-11)5-8-14(10)15-16-18-19-17-15/h3-7,10,14H,8-9H2,1-2H3,(H,16,17,18,19)/t10-,14-/m1/s1
InChIKeyDNTWFKIGRBSZBC-QMTHXVAHSA-N
XLogP2.81
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[(1R,2R)-4-(4-methoxyphenyl)-2-methylcyclohex-3-en-1-yl]-2H-tetrazole
CID 125486164
(1S,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-ene-1-carboxamide
CID 125489641
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
4,5-bis(4-methoxyphenyl)-2H-triazole
CID 24807682
4-(4-methoxyphenyl)-N,N-dimethylcyclohex-3-en-1-amine
CID 142398522
[3-(4-methoxyphenyl)cyclobut-2-en-1-yl]methanol
CID 135075425
3-(4-methoxyphenyl)-5-[(4-phenyl-1,2,3,6-tetrahydropyridin-2-yl)methyl]pyridine
CID 54456140
3-(6-methoxynaphthalen-2-yl)-8-oxabicyclo[3.2.1]oct-2-ene
CID 171974798
(4-methoxyphenyl)-(2H-tetrazol-5-yl)methanol
CID 134897503
5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole
CID 23614553
(E)-1-(4-methoxyphenyl)-N-(2H-tetrazol-5-yl)methanimine
CID 10798180
5-cyclopenta-2,4-dien-1-yl-2H-tetrazole;iron
CID 174858020

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole?
The IUPAC name of 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole (CID 125485731) is 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole.
What is the SMILES notation for 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole?
The canonical SMILES for 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole is COc1ccc(C2=CC[C@@H](c3nn[nH]n3)[C@H](C)C2)cc1.
What is the InChIKey of 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole?
The InChIKey is DNTWFKIGRBSZBC-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-9-12(11-3-6-13(20-2)7-4-11)5-8-14(10)15-16-18-19-17-15/h3-7,10,14H,8-9H2,1-2H3,(H,16,17,18,19)/t10-,14-/m1/s1.
What are the key properties of 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole?
5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole has a molecular weight of 270.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,6R)-4-(4-methoxyphenyl)-6-methylcyclohex-3-en-1-yl]-2H-tetrazole is sourced from PubChem (CID 125485731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).