2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine

C12H18FN5 — CID 115310784

IUPAC2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H18FN5/c1-8(2)12(3,7-14)16-11-15-10-5-4-9(13)6-18(10)17-11/h4-6,8H,7,14H2,1-3H3,(H,16,17)
InChIKeyRTNBVOWRIVIKGS-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.65
Rot. Bonds4

About 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine

2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine (PubChem CID 115310784) has the molecular formula C12H18FN5 and a molecular weight of 251.31 g/mol. Its IUPAC name is 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
PubChem CID115310784
Molecular FormulaC12H18FN5
Molecular Weight251.31 g/mol
Exact Mass251.15
IUPAC Name2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine
SMILESCC(C)C(C)(CN)Nc1nc2ccc(F)cn2n1
InChIInChI=1S/C12H18FN5/c1-8(2)12(3,7-14)16-11-15-10-5-4-9(13)6-18(10)17-11/h4-6,8H,7,14H2,1-3H3,(H,16,17)
InChIKeyRTNBVOWRIVIKGS-UHFFFAOYSA-N
XLogP1.65
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

6-fluoro-N-(3-methylpentan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 114174358
1-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropane-1,2-diamine
CID 115303641
2,3-dimethyl-2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)butane-1,2-diamine
CID 113284111
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
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)hexane-1,2-diamine
CID 80698401
6-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]hexan-1-ol
CID 107850356
1-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257640
N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 112670728
6-fluoro-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84656862
6-fluoro-N-octan-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 106026408
N-[(2-chloro-6-methoxyphenyl)methyl]-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 103292828

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine (CID 115310784) is 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine is CC(C)C(C)(CN)Nc1nc2ccc(F)cn2n1.
What is the InChIKey of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine?
The InChIKey is RTNBVOWRIVIKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN5/c1-8(2)12(3,7-14)16-11-15-10-5-4-9(13)6-18(10)17-11/h4-6,8H,7,14H2,1-3H3,(H,16,17).
What are the key properties of 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine?
2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine has a molecular weight of 251.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 115310784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).