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

C16H27N5O3S — CID 155873805

IUPAC7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2nnn(CC3CC3)c2C(COCC2CC2)C1
InChIInChI=1S/C16H27N5O3S/c1-19(2)25(22,23)20-8-14(11-24-10-13-5-6-13)16-15(9-20)17-18-21(16)7-12-3-4-12/h12-14H,3-11H2,1-2H3
InChIKeyAUWGYTVVMAQGNC-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.82
Rot. Bonds8

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

7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide (PubChem CID 155873805) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide.

Molecular Properties

Compound Name7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
PubChem CID155873805
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2nnn(CC3CC3)c2C(COCC2CC2)C1
InChIInChI=1S/C16H27N5O3S/c1-19(2)25(22,23)20-8-14(11-24-10-13-5-6-13)16-15(9-20)17-18-21(16)7-12-3-4-12/h12-14H,3-11H2,1-2H3
InChIKeyAUWGYTVVMAQGNC-UHFFFAOYSA-N
XLogP0.82
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
The IUPAC name of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide (CID 155873805) is 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide.
What is the SMILES notation for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
The canonical SMILES for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide is CN(C)S(=O)(=O)N1Cc2nnn(CC3CC3)c2C(COCC2CC2)C1.
What is the InChIKey of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
The InChIKey is AUWGYTVVMAQGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-19(2)25(22,23)20-8-14(11-24-10-13-5-6-13)16-15(9-20)17-18-21(16)7-12-3-4-12/h12-14H,3-11H2,1-2H3.
What are the key properties of 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide?
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 0.82, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-N,N-dimethyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-sulfonamide is sourced from PubChem (CID 155873805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).