(7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide

C13H23N5O3S — CID 97368943

IUPAC(7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2nnn(C)c2[C@H](COCC2CC2)C1
InChIInChI=1S/C13H23N5O3S/c1-16(2)22(19,20)18-6-11(9-21-8-10-4-5-10)13-12(7-18)14-15-17(13)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyGIPFNAQWPCCRAY-NSHDSACASA-N
MW329.43 g/mol
LogP-0.05
Rot. Bonds6

About (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide

(7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide (PubChem CID 97368943) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name(7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
PubChem CID97368943
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC Name(7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2nnn(C)c2[C@H](COCC2CC2)C1
InChIInChI=1S/C13H23N5O3S/c1-16(2)22(19,20)18-6-11(9-21-8-10-4-5-10)13-12(7-18)14-15-17(13)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1
InChIKeyGIPFNAQWPCCRAY-NSHDSACASA-N
XLogP-0.05
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
The IUPAC name of (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide (CID 97368943) is (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide.
What is the SMILES notation for (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
The canonical SMILES for (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1Cc2nnn(C)c2[C@H](COCC2CC2)C1.
What is the InChIKey of (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
The InChIKey is GIPFNAQWPCCRAY-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-16(2)22(19,20)18-6-11(9-21-8-10-4-5-10)13-12(7-18)14-15-17(13)3/h10-11H,4-9H2,1-3H3/t11-/m0/s1.
What are the key properties of (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
(7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide has a molecular weight of 329.43 g/mol, XLogP of -0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(cyclopropylmethoxymethyl)-N,N,1-trimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide is sourced from PubChem (CID 97368943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).