5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine

C15H14FN5 — CID 75498235

IUPAC5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
SMILESCc1cc(CNc2ccc(F)cn2)ccc1-n1cncn1
InChIInChI=1S/C15H14FN5/c1-11-6-12(2-4-14(11)21-10-17-9-20-21)7-18-15-5-3-13(16)8-19-15/h2-6,8-10H,7H2,1H3,(H,18,19)
InChIKeyMMSGYMAKSKUFCQ-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.72
Rot. Bonds4

About 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine

5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine (PubChem CID 75498235) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
PubChem CID75498235
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC Name5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine
SMILESCc1cc(CNc2ccc(F)cn2)ccc1-n1cncn1
InChIInChI=1S/C15H14FN5/c1-11-6-12(2-4-14(11)21-10-17-9-20-21)7-18-15-5-3-13(16)8-19-15/h2-6,8-10H,7H2,1H3,(H,18,19)
InChIKeyMMSGYMAKSKUFCQ-UHFFFAOYSA-N
XLogP2.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 741597
Dsm-74
CID 25263414
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
N-[3-fluoro-4-(trifluoromethyl)phenyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 25263434
n3-[4-(1-Methyl-piperidin-4-yl)-phenyl]-1-pyridin-2-yl-1h-[1,2,4]triazole-3,5-diamine
CID 56593836
3-N-[3-(1-methylpiperidin-4-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56593837
(1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-o-tolyl-amine
CID 255410
(3) 1H-1,2,4-triazol-3-yl-anilines
CID 57339835
(6) 1H-1,2,4-triazol-3-yl-anilines 4-F3C(C6H4) 4-Pyridine
CID 57339836
(24) 1H-1,2,4-triazol-3-yl-anilines 4-Me-3-F3C(C6H3) 4-Pyridine
CID 57339855
(25) 1H-1,2,4-triazol-3-yl-anilines 3-Me-4-F3C(C6H3) 4-Pyridine
CID 57339856
2-[2-(2,2-difluoro-2-pyridin-2-ylethyl)imino-1,3-dihydropyrazin-4-yl]-N-[[5-methyl-2-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide
CID 135998835

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
The IUPAC name of 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine (CID 75498235) is 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine is Cc1cc(CNc2ccc(F)cn2)ccc1-n1cncn1.
What is the InChIKey of 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
The InChIKey is MMSGYMAKSKUFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11-6-12(2-4-14(11)21-10-17-9-20-21)7-18-15-5-3-13(16)8-19-15/h2-6,8-10H,7H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine?
5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine has a molecular weight of 283.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyridin-2-amine is sourced from PubChem (CID 75498235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).