2,2-dimethylbutane;triazine

C9H17N3 — CID 18974669

IUPAC2,2-dimethylbutane;triazine
SMILESCCC(C)(C)C.c1cnnnc1
InChIInChI=1S/C6H14.C3H3N3/c1-5-6(2,3)4;1-2-4-6-5-3-1/h5H2,1-4H3;1-3H
InChIKeyOKDHGGUSDGUFMJ-UHFFFAOYSA-N
MW167.26 g/mol
LogP2.31
Rot. Bonds

About 2,2-dimethylbutane;triazine

2,2-dimethylbutane;triazine (PubChem CID 18974669) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2,2-dimethylbutane;triazine.

Molecular Properties

Compound Name2,2-dimethylbutane;triazine
PubChem CID18974669
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2,2-dimethylbutane;triazine
SMILESCCC(C)(C)C.c1cnnnc1
InChIInChI=1S/C6H14.C3H3N3/c1-5-6(2,3)4;1-2-4-6-5-3-1/h5H2,1-4H3;1-3H
InChIKeyOKDHGGUSDGUFMJ-UHFFFAOYSA-N
XLogP2.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;triazine?
The IUPAC name of 2,2-dimethylbutane;triazine (CID 18974669) is 2,2-dimethylbutane;triazine.
What is the SMILES notation for 2,2-dimethylbutane;triazine?
The canonical SMILES for 2,2-dimethylbutane;triazine is CCC(C)(C)C.c1cnnnc1.
What is the InChIKey of 2,2-dimethylbutane;triazine?
The InChIKey is OKDHGGUSDGUFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14.C3H3N3/c1-5-6(2,3)4;1-2-4-6-5-3-1/h5H2,1-4H3;1-3H.
What are the key properties of 2,2-dimethylbutane;triazine?
2,2-dimethylbutane;triazine has a molecular weight of 167.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;triazine is sourced from PubChem (CID 18974669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).