N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine

C23H25N5O2S — CID 51605750

IUPACN-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@@H]2C)c2ccccc23)cc1
InChIInChI=1S/C23H25N5O2S/c1-15-11-13-17(14-12-15)31(29,30)23-22-25-21(24-19-9-5-3-7-16(19)2)18-8-4-6-10-20(18)28(22)27-26-23/h4,6,8,10-14,16,19H,3,5,7,9H2,1-2H3,(H,24,25)/t16-,19+/m0/s1
InChIKeyUTNSJVOJPANANC-QFBILLFUSA-N
MW435.55 g/mol
LogP4.41
Rot. Bonds4

About N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine

N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (PubChem CID 51605750) has the molecular formula C23H25N5O2S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
PubChem CID51605750
Molecular FormulaC23H25N5O2S
Molecular Weight435.55 g/mol
Exact Mass435.17
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
SMILESCc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@@H]2C)c2ccccc23)cc1
InChIInChI=1S/C23H25N5O2S/c1-15-11-13-17(14-12-15)31(29,30)23-22-25-21(24-19-9-5-3-7-16(19)2)18-8-4-6-10-20(18)28(22)27-26-23/h4,6,8,10-14,16,19H,3,5,7,9H2,1-2H3,(H,24,25)/t16-,19+/m0/s1
InChIKeyUTNSJVOJPANANC-QFBILLFUSA-N
XLogP4.41
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,5-dimethylphenyl)sulfonyl-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
CID 20878526
3-(4-methylphenyl)sulfonyl-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 7470701
3-(4-chlorophenyl)sulfonyl-N-cycloheptyltriazolo[1,5-a]quinazolin-5-amine
CID 18559418
3-(benzenesulfonyl)-N-cyclopropyltriazolo[1,5-a]quinazolin-5-amine
CID 134790991
N-benzyl-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878453
3-(4-methylphenyl)sulfonyl-N-[(1S)-1-phenylethyl]triazolo[1,5-a]quinazolin-5-amine
CID 51605746
N-(3,4-dimethylphenyl)-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878563
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-(benzenesulfonyl)triazolo[1,5-a]quinazolin-5-amine
CID 97034684
3-(3,4-dimethylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 20878487
5-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazoline
CID 18590298
N-cyclopentyl-3-(4-methylphenyl)triazolo[1,5-a]quinazolin-5-amine
CID 16811836
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878461

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine (CID 51605750) is N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is Cc1ccc(S(=O)(=O)c2nnn3c2nc(N[C@@H]2CCCC[C@@H]2C)c2ccccc23)cc1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
The InChIKey is UTNSJVOJPANANC-QFBILLFUSA-N. The full InChI is InChI=1S/C23H25N5O2S/c1-15-11-13-17(14-12-15)31(29,30)23-22-25-21(24-19-9-5-3-7-16(19)2)18-8-4-6-10-20(18)28(22)27-26-23/h4,6,8,10-14,16,19H,3,5,7,9H2,1-2H3,(H,24,25)/t16-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine?
N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine has a molecular weight of 435.55 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 51605750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).