6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H13FN4 — CID 114202601

IUPAC6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CC(Nc1nc2ccc(F)cn2n1)C(C)C
InChIInChI=1S/C12H13FN4/c1-4-10(8(2)3)14-12-15-11-6-5-9(13)7-17(11)16-12/h1,5-8,10H,2-3H3,(H,14,16)
InChIKeyRZBHQNORKLCTOA-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.94
Rot. Bonds3

About 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114202601) has the molecular formula C12H13FN4 and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114202601
Molecular FormulaC12H13FN4
Molecular Weight232.26 g/mol
Exact Mass232.11
IUPAC Name6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC#CC(Nc1nc2ccc(F)cn2n1)C(C)C
InChIInChI=1S/C12H13FN4/c1-4-10(8(2)3)14-12-15-11-6-5-9(13)7-17(11)16-12/h1,5-8,10H,2-3H3,(H,14,16)
InChIKeyRZBHQNORKLCTOA-UHFFFAOYSA-N
XLogP1.94
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

3-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106350714
N-[1-(4-aminophenyl)ethyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 116650552
6-fluoro-N-octan-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026408
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine
CID 80698401
6-fluoro-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84656862
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
CID 115310784
6-fluoro-N-(2-prop-2-ynylsulfanylethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106430620
1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114174358
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
CID 107850356
6-bromo-N-hex-1-yn-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106231512
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257640

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114202601) is 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C#CC(Nc1nc2ccc(F)cn2n1)C(C)C.
What is the InChIKey of 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is RZBHQNORKLCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4/c1-4-10(8(2)3)14-12-15-11-6-5-9(13)7-17(11)16-12/h1,5-8,10H,2-3H3,(H,14,16).
What are the key properties of 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 232.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(4-methylpent-1-yn-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114202601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).