N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide

C15H23N5O2S — CID 50984783

IUPACN-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
SMILESCc1cnccc1-n1nc(C(C)C)nc1CCN(C)S(C)(=O)=O
InChIInChI=1S/C15H23N5O2S/c1-11(2)15-17-14(7-9-19(4)23(5,21)22)20(18-15)13-6-8-16-10-12(13)3/h6,8,10-11H,7,9H2,1-5H3
InChIKeyHGQXLFDDUVHTII-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.53
Rot. Bonds6

About N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide

N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide (PubChem CID 50984783) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
PubChem CID50984783
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC NameN-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
SMILESCc1cnccc1-n1nc(C(C)C)nc1CCN(C)S(C)(=O)=O
InChIInChI=1S/C15H23N5O2S/c1-11(2)15-17-14(7-9-19(4)23(5,21)22)20(18-15)13-6-8-16-10-12(13)3/h6,8,10-11H,7,9H2,1-5H3
InChIKeyHGQXLFDDUVHTII-UHFFFAOYSA-N
XLogP1.53
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide (CID 50984783) is N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide is Cc1cnccc1-n1nc(C(C)C)nc1CCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
The InChIKey is HGQXLFDDUVHTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-11(2)15-17-14(7-9-19(4)23(5,21)22)20(18-15)13-6-8-16-10-12(13)3/h6,8,10-11H,7,9H2,1-5H3.
What are the key properties of N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide?
N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[2-(3-methyl-4-pyridinyl)-5-propan-2-yl-1,2,4-triazol-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 50984783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).