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

C8H14N4S — CID 82505870

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine
SMILESCc1nnc(SC(C)CN)nc1C
InChIInChI=1S/C8H14N4S/c1-5(4-9)13-8-10-6(2)7(3)11-12-8/h5H,4,9H2,1-3H3
InChIKeyUJBZRUOGASWVDZ-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.93
Rot. Bonds3

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

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine (PubChem CID 82505870) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine
PubChem CID82505870
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine
SMILESCc1nnc(SC(C)CN)nc1C
InChIInChI=1S/C8H14N4S/c1-5(4-9)13-8-10-6(2)7(3)11-12-8/h5H,4,9H2,1-3H3
InChIKeyUJBZRUOGASWVDZ-UHFFFAOYSA-N
XLogP0.93
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine (CID 82505870) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine is Cc1nnc(SC(C)CN)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine?
The InChIKey is UJBZRUOGASWVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-5(4-9)13-8-10-6(2)7(3)11-12-8/h5H,4,9H2,1-3H3.
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine has a molecular weight of 198.29 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 82505870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).