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

C17H18FN5 — CID 75498020

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCC(Cc1ccc(F)cc1)Nc1cncc(-c2nncn2C)c1
InChIInChI=1S/C17H18FN5/c1-12(7-13-3-5-15(18)6-4-13)21-16-8-14(9-19-10-16)17-22-20-11-23(17)2/h3-6,8-12,21H,7H2,1-2H3
InChIKeyQKXBRLUYZUTCEM-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.06
Rot. Bonds5

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

N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 75498020) has the molecular formula C17H18FN5 and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID75498020
Molecular FormulaC17H18FN5
Molecular Weight311.36 g/mol
Exact Mass311.15
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCC(Cc1ccc(F)cc1)Nc1cncc(-c2nncn2C)c1
InChIInChI=1S/C17H18FN5/c1-12(7-13-3-5-15(18)6-4-13)21-16-8-14(9-19-10-16)17-22-20-11-23(17)2/h3-6,8-12,21H,7H2,1-2H3
InChIKeyQKXBRLUYZUTCEM-UHFFFAOYSA-N
XLogP3.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)propan-2-yl]pyridin-3-amine
CID 113243712
N-[1-(furan-2-yl)propan-2-yl]-4-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 63084928
3-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylaniline
CID 107582160
N-[(3-chloro-5-ethyl-1H-pyrazol-4-yl)methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 167980602
3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide
CID 154735989
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
3-N-[1-(4-fluorophenyl)propan-2-yl]-5-methylbenzene-1,3-diamine
CID 112647737
(2R)-1-[(4-fluorophenyl)methyl]-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 95786825
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
1-(4-fluorophenyl)-N-[(5-methyl-3-pyridinyl)methyl]propan-2-amine
CID 103905623
N-[1-(4-fluorophenyl)propan-2-yl]pyridazin-3-amine
CID 62995551
N-[1-(4-fluorophenyl)propan-2-yl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385595

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 75498020) is N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is CC(Cc1ccc(F)cc1)Nc1cncc(-c2nncn2C)c1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is QKXBRLUYZUTCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5/c1-12(7-13-3-5-15(18)6-4-13)21-16-8-14(9-19-10-16)17-22-20-11-23(17)2/h3-6,8-12,21H,7H2,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 311.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 75498020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).