4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C12H19N7S — CID 133433304

IUPAC4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCc1nc(Sc2nc(C(C)C)nc(N(C)C)n2)n[nH]1
InChIInChI=1S/C12H19N7S/c1-6-8-13-12(18-17-8)20-11-15-9(7(2)3)14-10(16-11)19(4)5/h7H,6H2,1-5H3,(H,13,17,18)
InChIKeyGKOORYUWHIZWOT-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.89
Rot. Bonds5

About 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133433304) has the molecular formula C12H19N7S and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133433304
Molecular FormulaC12H19N7S
Molecular Weight293.40 g/mol
Exact Mass293.14
IUPAC Name4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCc1nc(Sc2nc(C(C)C)nc(N(C)C)n2)n[nH]1
InChIInChI=1S/C12H19N7S/c1-6-8-13-12(18-17-8)20-11-15-9(7(2)3)14-10(16-11)19(4)5/h7H,6H2,1-5H3,(H,13,17,18)
InChIKeyGKOORYUWHIZWOT-UHFFFAOYSA-N
XLogP1.89
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133420645
N,N-diethyl-2-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 4383918
6-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 16604439
6-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25463535
6-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 29617441
2-N,2-N-dimethyl-6-[(1S)-1-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 35500428
2-N,2-N-dimethyl-6-[(1R)-1-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 35500429
2-N,2-N-dimethyl-6-[1-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 42948983
4-chloro-N,N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 55125335
2-chloro-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62866166
4-chloro-N,N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 62866167
N-ethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80882613

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133433304) is 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CCc1nc(Sc2nc(C(C)C)nc(N(C)C)n2)n[nH]1.
What is the InChIKey of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is GKOORYUWHIZWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7S/c1-6-8-13-12(18-17-8)20-11-15-9(7(2)3)14-10(16-11)19(4)5/h7H,6H2,1-5H3,(H,13,17,18).
What are the key properties of 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 293.40 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133433304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).