(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine

C10H11FN4 — CID 65362959

IUPAC(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1ccc(F)c(C(N)c2ncn[nH]2)c1
InChIInChI=1S/C10H11FN4/c1-6-2-3-8(11)7(4-6)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15)
InChIKeyRLHPOIVUUOSLEL-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.30
Rot. Bonds2

About (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine

(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 65362959) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID65362959
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCc1ccc(F)c(C(N)c2ncn[nH]2)c1
InChIInChI=1S/C10H11FN4/c1-6-2-3-8(11)7(4-6)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15)
InChIKeyRLHPOIVUUOSLEL-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362958
(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362666
(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362903
(2-fluoro-5-methylphenyl)-(2,4,6-trimethylphenyl)methanamine
CID 62515845
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(S)-(4-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 96995614
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
(2,6-difluoro-3-methylphenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 115852896

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 65362959) is (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is Cc1ccc(F)c(C(N)c2ncn[nH]2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is RLHPOIVUUOSLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-6-2-3-8(11)7(4-6)9(12)10-13-5-14-15-10/h2-5,9H,12H2,1H3,(H,13,14,15).
What are the key properties of (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
(2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 65362959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).