3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine

C22H23N5O2S — CID 20878447

IUPAC3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC1CCC(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1
InChIInChI=1S/C22H23N5O2S/c1-15-11-13-16(14-12-15)23-20-18-9-5-6-10-19(18)27-21(24-20)22(25-26-27)30(28,29)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24)
InChIKeyCEONIRNKQOSQGB-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.10
Rot. Bonds4

About 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 20878447) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID20878447
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC1CCC(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1
InChIInChI=1S/C22H23N5O2S/c1-15-11-13-16(14-12-15)23-20-18-9-5-6-10-19(18)27-21(24-20)22(25-26-27)30(28,29)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24)
InChIKeyCEONIRNKQOSQGB-UHFFFAOYSA-N
XLogP4.10
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,5-Dimethyl-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo-[1,5-a]quinazolin-2-amine
CID 44156756
N,9-Dimethyl-3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo-[5,1-b]quinazolin-2-amine
CID 46867521
N-benzyl-N-methyl-N-[3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-yl]amine
CID 2136426
UTA1inh-D1
CID 16019508
3-(benzenesulfonyl)-N-propan-2-yltriazolo[1,5-a]quinazolin-5-amine
CID 2136382
3-(Benzenesulfonyl)-N-(2-methylcyclohexyl)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 18559434
3-(benzenesulfonyl)-N-benzyltriazolo[1,5-a]quinazolin-5-amine
CID 20878431
N-(2-chlorobenzyl)-3-(phenylsulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878435
3-(phenylsulfonyl)-N-(tetrahydrofuran-2-ylmethyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20878441
3-(Benzenesulfonyl)-N-(butan-2-YL)-[1,2,3]triazolo[1,5-A]quinazolin-5-amine
CID 20878443
N-isopropyl-3-(4-methylphenyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
CID 20874463
1-butyl-3-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1886648

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine (CID 20878447) is 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine is CC1CCC(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)CC1.
What is the InChIKey of 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is CEONIRNKQOSQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-11-13-16(14-12-15)23-20-18-9-5-6-10-19(18)27-21(24-20)22(25-26-27)30(28,29)17-7-3-2-4-8-17/h2-10,15-16H,11-14H2,1H3,(H,23,24).
What are the key properties of 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 421.53 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(4-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 20878447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).