4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

C8H12N8OS — CID 80886826

IUPAC4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H12N8OS/c1-4(2)17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)3/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyPKAIAEQPMIUQGY-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.08
Rot. Bonds4

About 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 80886826) has the molecular formula C8H12N8OS and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID80886826
Molecular FormulaC8H12N8OS
Molecular Weight268.31 g/mol
Exact Mass268.09
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(N)nc(Sc2nnnn2C)n1
InChIInChI=1S/C8H12N8OS/c1-4(2)17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)3/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyPKAIAEQPMIUQGY-UHFFFAOYSA-N
XLogP-0.08
TPSA117.52 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-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

2-chloro-4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazine
CID 55125472
4-(1-methyltetrazol-5-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887985
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80891784
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-4-propyl-1H-1,2,4-triazol-5-one
CID 80882926
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
4-(3,4-difluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887729
N-ethyl-4-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80887079
6-(1-methyltetrazol-5-yl)sulfanylpyridin-2-amine
CID 80653445
4-[(3,5-dimethylphenyl)methylsulfanyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80887289
4-chloro-6-methoxy-2-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 89206264
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80890555
5-fluoro-4-(1-methyltetrazol-5-yl)sulfanylpyrimidin-2-amine
CID 80886704

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 80886826) is 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is CC(C)Oc1nc(N)nc(Sc2nnnn2C)n1.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is PKAIAEQPMIUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N8OS/c1-4(2)17-6-10-5(9)11-7(12-6)18-8-13-14-15-16(8)3/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 268.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).