[2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine

C10H11FN4 — CID 21069838

IUPAC[2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine
SMILESCc1ncn(-c2ccc(CN)c(F)c2)n1
InChIInChI=1S/C10H11FN4/c1-7-13-6-15(14-7)9-3-2-8(5-12)10(11)4-9/h2-4,6H,5,12H2,1H3
InChIKeyFPTGMSZRSKHNEP-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.17
Rot. Bonds2

About [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine

[2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine (PubChem CID 21069838) has the molecular formula C10H11FN4 and a molecular weight of 206.22 g/mol. Its IUPAC name is [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine
PubChem CID21069838
Molecular FormulaC10H11FN4
Molecular Weight206.22 g/mol
Exact Mass206.10
IUPAC Name[2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine
SMILESCc1ncn(-c2ccc(CN)c(F)c2)n1
InChIInChI=1S/C10H11FN4/c1-7-13-6-15(14-7)9-3-2-8(5-12)10(11)4-9/h2-4,6H,5,12H2,1H3
InChIKeyFPTGMSZRSKHNEP-UHFFFAOYSA-N
XLogP1.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Aminobenzyl)-1,2,4-triazole
CID 821219
4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
CID 2794785
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]aniline
CID 9840212
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
(R)-1-(2-fluorophenyl)-4-((S)-2-(1-phenyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl)butan-2-amine
CID 45487902
(4-phenyl-4H-1,2,4-triazol-3-yl)methanamine
CID 24701192
4-(3-amino-1H-1,2,4-triazol-1-yl)benzonitrile
CID 61176978
1-(4-Methylphenyl)-1,2,4-triazole
CID 9989504
[4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methanamine
CID 52416427

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine (CID 21069838) is [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine is Cc1ncn(-c2ccc(CN)c(F)c2)n1.
What is the InChIKey of [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine?
The InChIKey is FPTGMSZRSKHNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4/c1-7-13-6-15(14-7)9-3-2-8(5-12)10(11)4-9/h2-4,6H,5,12H2,1H3.
What are the key properties of [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine?
[2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine has a molecular weight of 206.22 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methanamine is sourced from PubChem (CID 21069838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).