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

C19H24N4O3S — CID 151437111

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(CC1CCOC1)c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1
InChIInChI=1S/C19H24N4O3S/c24-27(25,11-12-7-8-26-10-12)19-21-18(22-23-19)20-17-15-5-1-3-13(15)9-14-4-2-6-16(14)17/h9,12H,1-8,10-11H2,(H2,20,21,22,23)
InChIKeyPDSWFSACSOEDIS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.34
Rot. Bonds5

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

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine (PubChem CID 151437111) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine
PubChem CID151437111
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(CC1CCOC1)c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1
InChIInChI=1S/C19H24N4O3S/c24-27(25,11-12-7-8-26-10-12)19-21-18(22-23-19)20-17-15-5-1-3-13(15)9-14-4-2-6-16(14)17/h9,12H,1-8,10-11H2,(H2,20,21,22,23)
InChIKeyPDSWFSACSOEDIS-UHFFFAOYSA-N
XLogP2.34
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(diethylamino)ethylsulfonyl]-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
CID 150724489
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-[(3R)-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-amine
CID 151933918
5-(4-fluorophenyl)sulfonyl-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-1H-1,2,4-triazol-3-amine
CID 162147472
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(oxolan-3-ylmethyl)azetidin-3-yl]sulfonylurea
CID 137402914
1-[3-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1H-1,2,4-triazol-5-yl]sulfonyl]-1-methylpyrazol-5-yl]-N,N-dimethylethanamine oxide
CID 153356868
5-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-1,2,4-triazol-3-amine;methoxymethylcyclopentane
CID 160825439
ethane;N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propylsulfinyl]-1H-1,2,4-triazol-3-amine
CID 153357308
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpyrazol-4-yl)-(oxolan-3-ylmethyl)sulfamoyl]urea
CID 170689278
cyclopentanol;1-[[3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1H-1,2,4-triazol-5-yl]sulfonyl]pyrrolidin-3-ol;5-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-sulfonyl chloride
CID 159760993
N-(3,4-difluorophenyl)-5-[[(3S)-oxolan-3-yl]methylsulfonyl]-1H-indazol-3-amine
CID 157240733
N-[[(3S)-oxolan-3-yl]methylsulfonyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 99704126
N-[[(3R)-oxolan-3-yl]methylsulfonyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 99704181

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine (CID 151437111) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-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-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine is O=S(=O)(CC1CCOC1)c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is PDSWFSACSOEDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-27(25,11-12-7-8-26-10-12)19-21-18(22-23-19)20-17-15-5-1-3-13(15)9-14-4-2-6-16(14)17/h9,12H,1-8,10-11H2,(H2,20,21,22,23).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 388.49 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(oxolan-3-ylmethylsulfonyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 151437111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).