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

C19H19N5O2S — CID 147312191

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(c1ccncc1)c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1
InChIInChI=1S/C19H19N5O2S/c25-27(26,14-7-9-20-10-8-14)19-22-18(23-24-19)21-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17/h7-11H,1-6H2,(H2,21,22,23,24)
InChIKeyCYEGCPLYERWXGB-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.75
Rot. Bonds4

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

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine (PubChem CID 147312191) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine
PubChem CID147312191
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine
SMILESO=S(=O)(c1ccncc1)c1nc(Nc2c3c(cc4c2CCC4)CCC3)n[nH]1
InChIInChI=1S/C19H19N5O2S/c25-27(26,14-7-9-20-10-8-14)19-22-18(23-24-19)21-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17/h7-11H,1-6H2,(H2,21,22,23,24)
InChIKeyCYEGCPLYERWXGB-UHFFFAOYSA-N
XLogP2.75
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-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-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine (CID 147312191) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-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-pyridin-4-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-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine is O=S(=O)(c1ccncc1)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-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine?
The InChIKey is CYEGCPLYERWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-27(26,14-7-9-20-10-8-14)19-22-18(23-24-19)21-17-15-5-1-3-12(15)11-13-4-2-6-16(13)17/h7-11H,1-6H2,(H2,21,22,23,24).
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-5-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine has a molecular weight of 381.46 g/mol, XLogP of 2.75, 4 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-pyridin-4-ylsulfonyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 147312191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).