N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine

C15H21N5S — CID 155949893

IUPACN-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCc2ccnc(SC(C)(C)C)c2)nc1C
InChIInChI=1S/C15H21N5S/c1-10-11(2)19-20-14(18-10)17-9-12-6-7-16-13(8-12)21-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18,20)
InChIKeyYFWVVXJSGXEUPG-UHFFFAOYSA-N
MW303.44 g/mol
LogP3.39
Rot. Bonds4

About N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine

N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine (PubChem CID 155949893) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
PubChem CID155949893
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC NameN-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
SMILESCc1nnc(NCc2ccnc(SC(C)(C)C)c2)nc1C
InChIInChI=1S/C15H21N5S/c1-10-11(2)19-20-14(18-10)17-9-12-6-7-16-13(8-12)21-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18,20)
InChIKeyYFWVVXJSGXEUPG-UHFFFAOYSA-N
XLogP3.39
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine (CID 155949893) is N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine is Cc1nnc(NCc2ccnc(SC(C)(C)C)c2)nc1C.
What is the InChIKey of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
The InChIKey is YFWVVXJSGXEUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-11(2)19-20-14(18-10)17-9-12-6-7-16-13(8-12)21-15(3,4)5/h6-8H,9H2,1-5H3,(H,17,18,20).
What are the key properties of N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine?
N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine has a molecular weight of 303.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylsulfanyl-4-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 155949893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).