6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

C15H17N9S — CID 51280095

IUPAC6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(Sc1nnnn1C1CC1)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H17N9S/c1-9(25-15-21-22-23-24(15)11-7-8-11)12-18-13(16)20-14(19-12)17-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H3,16,17,18,19,20)
InChIKeyZRWNOYCDBFJTPV-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.37
Rot. Bonds6

About 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine

6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 51280095) has the molecular formula C15H17N9S and a molecular weight of 355.43 g/mol. Its IUPAC name is 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID51280095
Molecular FormulaC15H17N9S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC Name6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(Sc1nnnn1C1CC1)c1nc(N)nc(Nc2ccccc2)n1
InChIInChI=1S/C15H17N9S/c1-9(25-15-21-22-23-24(15)11-7-8-11)12-18-13(16)20-14(19-12)17-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H3,16,17,18,19,20)
InChIKeyZRWNOYCDBFJTPV-UHFFFAOYSA-N
XLogP2.37
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[(1S)-1-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 41493023
2-N-phenyl-6-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 9454040
6-[(1R)-1-(2-fluorophenyl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 51927587
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-3-methylquinazolin-4-one
CID 42891703
5-[1-(2-chlorophenyl)ethylsulfanyl]-1-cyclopropyltetrazole
CID 47124356
6-[(1R)-1-(4-methylpiperidin-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 30238118
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-3-methylthieno[2,3-d]pyrimidin-4-one
CID 55459196
N-[3-[3-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-1,2,4-triazol-4-yl]phenyl]acetamide
CID 55568393
2-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]sulfanyl-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 25337628
6-[1-(methylamino)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 18126026
6-[1-(azepan-1-yl)ethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 42925988
2-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-3H-quinazolin-4-one
CID 135697587

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine (CID 51280095) is 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is CC(Sc1nnnn1C1CC1)c1nc(N)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZRWNOYCDBFJTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N9S/c1-9(25-15-21-22-23-24(15)11-7-8-11)12-18-13(16)20-14(19-12)17-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine?
6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 355.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-cyclopropyltetrazol-5-yl)sulfanylethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 51280095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).