N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide

C11H17N7O2S — CID 64516785

IUPACN-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)Cc2ncn[nH]2)cn1
InChIInChI=1S/C11H17N7O2S/c1-3-4-12-11-13-5-9(6-14-11)21(19,20)18(2)7-10-15-8-16-17-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13,14)(H,15,16,17)
InChIKeyNBVHNHFRNRFLIR-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.24
Rot. Bonds7

About N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide

N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 64516785) has the molecular formula C11H17N7O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID64516785
Molecular FormulaC11H17N7O2S
Molecular Weight311.37 g/mol
Exact Mass311.12
IUPAC NameN-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)Cc2ncn[nH]2)cn1
InChIInChI=1S/C11H17N7O2S/c1-3-4-12-11-13-5-9(6-14-11)21(19,20)18(2)7-10-15-8-16-17-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13,14)(H,15,16,17)
InChIKeyNBVHNHFRNRFLIR-UHFFFAOYSA-N
XLogP0.24
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-2-(propylamino)-N-(2,2,2-trifluoroethyl)pyrimidine-5-sulfonamide
CID 62145628
N,N-dipropyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62150752
N-butan-2-yl-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044291
N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62159264
4-butan-2-yl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519000
N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propane-2-sulfonamide
CID 64517066
N-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64518617
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butane-1-sulfonamide
CID 64512890
N-ethyl-N-propyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 55044432
N-methyl-4-(2-methylpropyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64519189
N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
CID 106937024
3-amino-5-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512148

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide (CID 64516785) is N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(C)Cc2ncn[nH]2)cn1.
What is the InChIKey of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is NBVHNHFRNRFLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2S/c1-3-4-12-11-13-5-9(6-14-11)21(19,20)18(2)7-10-15-8-16-17-10/h5-6,8H,3-4,7H2,1-2H3,(H,12,13,14)(H,15,16,17).
What are the key properties of N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide?
N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 64516785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).