3-tert-butyl-5-propan-2-yl-1,2,4-triazine

C10H17N3 — CID 170117285

IUPAC3-tert-butyl-5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnnc(C(C)(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)8-6-11-13-9(12-8)10(3,4)5/h6-7H,1-5H3
InChIKeyMJGMWUCFOXARHO-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.29
Rot. Bonds1

About 3-tert-butyl-5-propan-2-yl-1,2,4-triazine

3-tert-butyl-5-propan-2-yl-1,2,4-triazine (PubChem CID 170117285) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-tert-butyl-5-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-tert-butyl-5-propan-2-yl-1,2,4-triazine
PubChem CID170117285
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-tert-butyl-5-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1cnnc(C(C)(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)8-6-11-13-9(12-8)10(3,4)5/h6-7H,1-5H3
InChIKeyMJGMWUCFOXARHO-UHFFFAOYSA-N
XLogP2.29
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-propan-2-yl-1,2,4-triazine?
The IUPAC name of 3-tert-butyl-5-propan-2-yl-1,2,4-triazine (CID 170117285) is 3-tert-butyl-5-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-tert-butyl-5-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 3-tert-butyl-5-propan-2-yl-1,2,4-triazine is CC(C)c1cnnc(C(C)(C)C)n1.
What is the InChIKey of 3-tert-butyl-5-propan-2-yl-1,2,4-triazine?
The InChIKey is MJGMWUCFOXARHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)8-6-11-13-9(12-8)10(3,4)5/h6-7H,1-5H3.
What are the key properties of 3-tert-butyl-5-propan-2-yl-1,2,4-triazine?
3-tert-butyl-5-propan-2-yl-1,2,4-triazine has a molecular weight of 179.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 170117285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).