4-tert-butylpyrido[3,4-d]triazine

C10H12N4 — CID 59647505

IUPAC4-tert-butylpyrido[3,4-d]triazine
SMILESCC(C)(C)c1nnnc2cnccc12
InChIInChI=1S/C10H12N4/c1-10(2,3)9-7-4-5-11-6-8(7)12-14-13-9/h4-6H,1-3H3
InChIKeyHKBVLYAZSLAABV-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.72
Rot. Bonds

About 4-tert-butylpyrido[3,4-d]triazine

4-tert-butylpyrido[3,4-d]triazine (PubChem CID 59647505) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-tert-butylpyrido[3,4-d]triazine.

Molecular Properties

Compound Name4-tert-butylpyrido[3,4-d]triazine
PubChem CID59647505
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name4-tert-butylpyrido[3,4-d]triazine
SMILESCC(C)(C)c1nnnc2cnccc12
InChIInChI=1S/C10H12N4/c1-10(2,3)9-7-4-5-11-6-8(7)12-14-13-9/h4-6H,1-3H3
InChIKeyHKBVLYAZSLAABV-UHFFFAOYSA-N
XLogP1.72
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylpyrido[3,4-d]triazine?
The IUPAC name of 4-tert-butylpyrido[3,4-d]triazine (CID 59647505) is 4-tert-butylpyrido[3,4-d]triazine.
What is the SMILES notation for 4-tert-butylpyrido[3,4-d]triazine?
The canonical SMILES for 4-tert-butylpyrido[3,4-d]triazine is CC(C)(C)c1nnnc2cnccc12.
What is the InChIKey of 4-tert-butylpyrido[3,4-d]triazine?
The InChIKey is HKBVLYAZSLAABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-10(2,3)9-7-4-5-11-6-8(7)12-14-13-9/h4-6H,1-3H3.
What are the key properties of 4-tert-butylpyrido[3,4-d]triazine?
4-tert-butylpyrido[3,4-d]triazine has a molecular weight of 188.23 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylpyrido[3,4-d]triazine is sourced from PubChem (CID 59647505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).