propane;pyrido[4,3-d]triazine

C9H12N4 — CID 145045476

IUPACpropane;pyrido[4,3-d]triazine
SMILESCCC.c1cc2nnncc2cn1
InChIInChI=1S/C6H4N4.C3H8/c1-2-7-3-5-4-8-10-9-6(1)5;1-3-2/h1-4H;3H2,1-2H3
InChIKeyFDHCFTOKTVSFQU-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.84
Rot. Bonds

About propane;pyrido[4,3-d]triazine

propane;pyrido[4,3-d]triazine (PubChem CID 145045476) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is propane;pyrido[4,3-d]triazine.

Molecular Properties

Compound Namepropane;pyrido[4,3-d]triazine
PubChem CID145045476
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Namepropane;pyrido[4,3-d]triazine
SMILESCCC.c1cc2nnncc2cn1
InChIInChI=1S/C6H4N4.C3H8/c1-2-7-3-5-4-8-10-9-6(1)5;1-3-2/h1-4H;3H2,1-2H3
InChIKeyFDHCFTOKTVSFQU-UHFFFAOYSA-N
XLogP1.84
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butane;2-methyl-1,6-naphthyridine
CID 142826315
cyclodeca[d]triazine
CID 68541333
cinnoline;isoquinoline;phthalazine
CID 142014837
1,2,3-benzotriazine;hydrazine
CID 67089361
2-butyl-1,6-naphthyridine
CID 23383449
4-ethylpyrido[3,4-c]pyridazine
CID 156710783
2-fluoropyrido[4,3-d]pyrimidine
CID 140973254
pyrido[3,4-f]phthalazine
CID 122577314
pyrido[4,3-d]pyrimidine;dihydrochloride
CID 57495363
N-butan-2-yl-1,6-naphthyridin-2-amine
CID 167287552
ethane;pteridine;pyrazino[2,3-b]pyrazine;pyrazino[2,3-c]pyridazine;pyrazino[2,3-d]pyridazine;pyrazino[2,3-e][1,2,4]triazine;pyridazino[3,4-c]pyridazine;pyridazino[4,3-c]pyridazine;pyridazino[3,4-d]pyridazine;pyridazino[4,5-d]pyridazine;pyrido[3,4-d]triazine;pyrido[4,3-d]triazine;pyrimido[4,5-c]pyridazine;pyrimido[5,4-c]pyridazine;pyrimido[4,5-d]pyridazine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine
CID 159776978
2,9-phenanthroline
CID 23271029

Frequently Asked Questions

What is the IUPAC name of propane;pyrido[4,3-d]triazine?
The IUPAC name of propane;pyrido[4,3-d]triazine (CID 145045476) is propane;pyrido[4,3-d]triazine.
What is the SMILES notation for propane;pyrido[4,3-d]triazine?
The canonical SMILES for propane;pyrido[4,3-d]triazine is CCC.c1cc2nnncc2cn1.
What is the InChIKey of propane;pyrido[4,3-d]triazine?
The InChIKey is FDHCFTOKTVSFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4.C3H8/c1-2-7-3-5-4-8-10-9-6(1)5;1-3-2/h1-4H;3H2,1-2H3.
What are the key properties of propane;pyrido[4,3-d]triazine?
propane;pyrido[4,3-d]triazine has a molecular weight of 176.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane;pyrido[4,3-d]triazine is sourced from PubChem (CID 145045476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).