1-methyltriazole;quinoline

C12H12N4 — CID 157432615

IUPAC1-methyltriazole;quinoline
SMILESCn1ccnn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-2-4-5-6/h1-7H;2-3H,1H3
InChIKeyBQSJQYUWXRVFIS-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.05
Rot. Bonds

About 1-methyltriazole;quinoline

1-methyltriazole;quinoline (PubChem CID 157432615) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-methyltriazole;quinoline.

Molecular Properties

Compound Name1-methyltriazole;quinoline
PubChem CID157432615
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-methyltriazole;quinoline
SMILESCn1ccnn1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-2-4-5-6/h1-7H;2-3H,1H3
InChIKeyBQSJQYUWXRVFIS-UHFFFAOYSA-N
XLogP2.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyltriazole;quinoline?
The IUPAC name of 1-methyltriazole;quinoline (CID 157432615) is 1-methyltriazole;quinoline.
What is the SMILES notation for 1-methyltriazole;quinoline?
The canonical SMILES for 1-methyltriazole;quinoline is Cn1ccnn1.c1ccc2ncccc2c1.
What is the InChIKey of 1-methyltriazole;quinoline?
The InChIKey is BQSJQYUWXRVFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-6-3-2-4-5-6/h1-7H;2-3H,1H3.
What are the key properties of 1-methyltriazole;quinoline?
1-methyltriazole;quinoline has a molecular weight of 212.26 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyltriazole;quinoline is sourced from PubChem (CID 157432615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).