3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine

C11H16N6 — CID 91662130

IUPAC3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine
SMILESCc1cnc(C)c(NC(C)Cn2cncn2)n1
InChIInChI=1S/C11H16N6/c1-8-4-13-10(3)11(15-8)16-9(2)5-17-7-12-6-14-17/h4,6-7,9H,5H2,1-3H3,(H,15,16)
InChIKeyFNPLHMCHUSEUQN-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.19
Rot. Bonds4

About 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine

3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine (PubChem CID 91662130) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine
PubChem CID91662130
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine
SMILESCc1cnc(C)c(NC(C)Cn2cncn2)n1
InChIInChI=1S/C11H16N6/c1-8-4-13-10(3)11(15-8)16-9(2)5-17-7-12-6-14-17/h4,6-7,9H,5H2,1-3H3,(H,15,16)
InChIKeyFNPLHMCHUSEUQN-UHFFFAOYSA-N
XLogP1.19
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine (CID 91662130) is 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine is Cc1cnc(C)c(NC(C)Cn2cncn2)n1.
What is the InChIKey of 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine?
The InChIKey is FNPLHMCHUSEUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-8-4-13-10(3)11(15-8)16-9(2)5-17-7-12-6-14-17/h4,6-7,9H,5H2,1-3H3,(H,15,16).
What are the key properties of 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine?
3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine has a molecular weight of 232.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazin-2-amine is sourced from PubChem (CID 91662130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).