N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide

C19H19N5OS — CID 71005859

IUPACN-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(Sc2nnc(-c3cccnc3)n2C)CC1)c1ccccc1
InChIInChI=1S/C19H19N5OS/c1-23(15-8-4-3-5-9-15)17(25)19(10-11-19)26-18-22-21-16(24(18)2)14-7-6-12-20-13-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWEOHHMDCCKURSZ-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.16
Rot. Bonds5

About N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide

N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide (PubChem CID 71005859) has the molecular formula C19H19N5OS and a molecular weight of 365.46 g/mol. Its IUPAC name is N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide
PubChem CID71005859
Molecular FormulaC19H19N5OS
Molecular Weight365.46 g/mol
Exact Mass365.13
IUPAC NameN-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide
SMILESCN(C(=O)C1(Sc2nnc(-c3cccnc3)n2C)CC1)c1ccccc1
InChIInChI=1S/C19H19N5OS/c1-23(15-8-4-3-5-9-15)17(25)19(10-11-19)26-18-22-21-16(24(18)2)14-7-6-12-20-13-14/h3-9,12-13H,10-11H2,1-2H3
InChIKeyWEOHHMDCCKURSZ-UHFFFAOYSA-N
XLogP3.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide (CID 71005859) is N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide is CN(C(=O)C1(Sc2nnc(-c3cccnc3)n2C)CC1)c1ccccc1.
What is the InChIKey of N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
The InChIKey is WEOHHMDCCKURSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS/c1-23(15-8-4-3-5-9-15)17(25)19(10-11-19)26-18-22-21-16(24(18)2)14-7-6-12-20-13-14/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide?
N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 71005859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).