N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine

C18H23N5O2S — CID 146845237

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1)N1CCCC1
InChIInChI=1S/C18H23N5O2S/c24-26(25,23-9-1-2-10-23)18-20-17(21-22-18)19-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16/h11H,1-10H2,(H2,19,20,21,22)
InChIKeySGYAPUPJMDMQPZ-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.31
Rot. Bonds4

About N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine (PubChem CID 146845237) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine
PubChem CID146845237
Molecular FormulaC18H23N5O2S
Molecular Weight373.48 g/mol
Exact Mass373.16
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1)N1CCCC1
InChIInChI=1S/C18H23N5O2S/c24-26(25,23-9-1-2-10-23)18-20-17(21-22-18)19-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16/h11H,1-10H2,(H2,19,20,21,22)
InChIKeySGYAPUPJMDMQPZ-UHFFFAOYSA-N
XLogP2.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(diethylamino)propylsulfonyl]-N-(7-fluoro-5-phenyl-2,3-dihydro-1H-inden-4-yl)-1H-1,2,4-triazol-3-amine
CID 149571134
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-[[1-(2,2,2-trifluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-1H-1,2,4-triazol-3-amine
CID 150381847
N-[4-fluoro-2,6-di(propan-2-yl)phenyl]-5-[(7-methyl-2,7-diazaspiro[3.4]octan-2-yl)sulfonyl]-1H-1,2,4-triazol-3-amine
CID 151253487
5-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]sulfonyl-N-[4-fluoro-2,6-di(propan-2-yl)phenyl]-1H-1,2,4-triazol-3-amine
CID 151437174
5-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
CID 151535635
N-[4-fluoro-2,6-di(propan-2-yl)phenyl]-5-[(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)sulfonyl]-1H-1,2,4-triazol-3-amine
CID 151686573
1-[[3-[(8-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)amino]-1H-1,2,4-triazol-5-yl]sulfonyl]-N,N-dimethylpiperidin-4-amine
CID 152259293
5-(4,4-difluoropiperidin-1-yl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
CID 152261377
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-[[7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.4]octan-2-yl]sulfonyl]-1H-1,2,4-triazol-3-amine
CID 152572064
5-[[7-(2-fluoroethyl)-2,7-diazaspiro[3.4]octan-2-yl]sulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
CID 153356776
[3-Chlorosulfonyl-5-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1,2,4-triazol-1-yl] thiohypofluorite
CID 153356858
3-[[1-(2-fluoroethyl)-1,8-diazaspiro[4.5]decan-8-yl]sulfanyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-5-amine
CID 153356892

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine (CID 146845237) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine is O=S(=O)(c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1)N1CCCC1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine?
The InChIKey is SGYAPUPJMDMQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S/c24-26(25,23-9-1-2-10-23)18-20-17(21-22-18)19-16-14-7-3-5-12(14)11-13-6-4-8-15(13)16/h11H,1-10H2,(H2,19,20,21,22).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine has a molecular weight of 373.48 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyrrolidin-1-ylsulfonyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 146845237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).