5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine

C18H15FN6 — CID 97129414

IUPAC5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2cccc(F)c12)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H15FN6/c1-12(13-5-7-14(8-6-13)25-11-20-9-23-25)24-18-17-15(19)3-2-4-16(17)21-10-22-18/h2-12H,1H3,(H,21,22,24)/t12-/m1/s1
InChIKeyUHSHADLQQSLTDZ-GFCCVEGCSA-N
MW334.36 g/mol
LogP3.52
Rot. Bonds4

About 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine

5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine (PubChem CID 97129414) has the molecular formula C18H15FN6 and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
PubChem CID97129414
Molecular FormulaC18H15FN6
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine
SMILESC[C@@H](Nc1ncnc2cccc(F)c12)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H15FN6/c1-12(13-5-7-14(8-6-13)25-11-20-9-23-25)24-18-17-15(19)3-2-4-16(17)21-10-22-18/h2-12H,1H3,(H,21,22,24)/t12-/m1/s1
InChIKeyUHSHADLQQSLTDZ-GFCCVEGCSA-N
XLogP3.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55853802
2,6-difluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8815109
2-fluoro-6-[[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]benzonitrile
CID 95152949
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-fluoroquinazolin-4-amine
CID 72839025
N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 9116594
3-pyrrolidin-1-yl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinoxalin-2-amine
CID 97088600
N-[1-(2-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55855620
5-chloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088603
5-chloro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridin-2-amine
CID 97088604
6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 50969096
3,6-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 97188113
5-chloro-N-[(1R)-1-phenylethyl]quinazolin-4-amine
CID 87057014

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine (CID 97129414) is 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine is C[C@@H](Nc1ncnc2cccc(F)c12)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is UHSHADLQQSLTDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H15FN6/c1-12(13-5-7-14(8-6-13)25-11-20-9-23-25)24-18-17-15(19)3-2-4-16(17)21-10-22-18/h2-12H,1H3,(H,21,22,24)/t12-/m1/s1.
What are the key properties of 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine?
5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 334.36 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 97129414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).