6-methyl-2-propan-2-yl-5H-1,2,4-triazine

C7H13N3 — CID 123616658

IUPAC6-methyl-2-propan-2-yl-5H-1,2,4-triazine
SMILESCC1=NN(C(C)C)C=NC1
InChIInChI=1S/C7H13N3/c1-6(2)10-5-8-4-7(3)9-10/h5-6H,4H2,1-3H3
InChIKeyJOKXELOHMWULLY-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.11
Rot. Bonds1

About 6-methyl-2-propan-2-yl-5H-1,2,4-triazine

6-methyl-2-propan-2-yl-5H-1,2,4-triazine (PubChem CID 123616658) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-5H-1,2,4-triazine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-5H-1,2,4-triazine
PubChem CID123616658
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name6-methyl-2-propan-2-yl-5H-1,2,4-triazine
SMILESCC1=NN(C(C)C)C=NC1
InChIInChI=1S/C7H13N3/c1-6(2)10-5-8-4-7(3)9-10/h5-6H,4H2,1-3H3
InChIKeyJOKXELOHMWULLY-UHFFFAOYSA-N
XLogP1.11
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-5H-1,2,4-triazine?
The IUPAC name of 6-methyl-2-propan-2-yl-5H-1,2,4-triazine (CID 123616658) is 6-methyl-2-propan-2-yl-5H-1,2,4-triazine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-5H-1,2,4-triazine?
The canonical SMILES for 6-methyl-2-propan-2-yl-5H-1,2,4-triazine is CC1=NN(C(C)C)C=NC1.
What is the InChIKey of 6-methyl-2-propan-2-yl-5H-1,2,4-triazine?
The InChIKey is JOKXELOHMWULLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(2)10-5-8-4-7(3)9-10/h5-6H,4H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-5H-1,2,4-triazine?
6-methyl-2-propan-2-yl-5H-1,2,4-triazine has a molecular weight of 139.20 g/mol, XLogP of 1.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-5H-1,2,4-triazine is sourced from PubChem (CID 123616658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).