3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine

C22H23N5O2S — CID 18559434

IUPAC3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC1CCCCC1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C22H23N5O2S/c1-15-9-5-7-13-18(15)23-20-17-12-6-8-14-19(17)27-21(24-20)22(25-26-27)30(28,29)16-10-3-2-4-11-16/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3,(H,23,24)
InChIKeyQOVJGSSIZLCPNR-UHFFFAOYSA-N
MW421.53 g/mol
LogP4.10
Rot. Bonds4

About 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine

3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 18559434) has the molecular formula C22H23N5O2S and a molecular weight of 421.53 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID18559434
Molecular FormulaC22H23N5O2S
Molecular Weight421.53 g/mol
Exact Mass421.16
IUPAC Name3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine
SMILESCC1CCCCC1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12
InChIInChI=1S/C22H23N5O2S/c1-15-9-5-7-13-18(15)23-20-17-12-6-8-14-19(17)27-21(24-20)22(25-26-27)30(28,29)16-10-3-2-4-11-16/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3,(H,23,24)
InChIKeyQOVJGSSIZLCPNR-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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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine (CID 18559434) is 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine is CC1CCCCC1Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12.
What is the InChIKey of 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is QOVJGSSIZLCPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2S/c1-15-9-5-7-13-18(15)23-20-17-12-6-8-14-19(17)27-21(24-20)22(25-26-27)30(28,29)16-10-3-2-4-11-16/h2-4,6,8,10-12,14-15,18H,5,7,9,13H2,1H3,(H,23,24).
What are the key properties of 3-(benzenesulfonyl)-N-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine?
3-(benzenesulfonyl)-N-(2-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-(2-methylcyclohexyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 18559434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).