5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C9H12N4 — CID 126847421

IUPAC5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESC#CCn1nnc2c1CCN(C)C2
InChIInChI=1S/C9H12N4/c1-3-5-13-9-4-6-12(2)7-8(9)10-11-13/h1H,4-7H2,2H3
InChIKeyNCFJPNSAVMOWNB-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.10
Rot. Bonds1

About 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine

5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 126847421) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID126847421
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESC#CCn1nnc2c1CCN(C)C2
InChIInChI=1S/C9H12N4/c1-3-5-13-9-4-6-12(2)7-8(9)10-11-13/h1H,4-7H2,2H3
InChIKeyNCFJPNSAVMOWNB-UHFFFAOYSA-N
XLogP-0.10
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 126847421) is 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine is C#CCn1nnc2c1CCN(C)C2.
What is the InChIKey of 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is NCFJPNSAVMOWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-5-13-9-4-6-12(2)7-8(9)10-11-13/h1H,4-7H2,2H3.
What are the key properties of 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 176.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-ynyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 126847421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).