1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine

C10H10ClFN4 — CID 102864092

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN4/c1-6-10(13)14-15-16(6)5-7-3-2-4-8(11)9(7)12/h2-4H,5,13H2,1H3
InChIKeySZGCULAUYXOONB-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.01
Rot. Bonds2

About 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine

1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine (PubChem CID 102864092) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine
PubChem CID102864092
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine
SMILESCc1c(N)nnn1Cc1cccc(Cl)c1F
InChIInChI=1S/C10H10ClFN4/c1-6-10(13)14-15-16(6)5-7-3-2-4-8(11)9(7)12/h2-4H,5,13H2,1H3
InChIKeySZGCULAUYXOONB-UHFFFAOYSA-N
XLogP2.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
1-[(4-chloro-3-fluorophenyl)methyl]-5-methyltriazol-4-amine
CID 107889101
ethyl 1-[(3-chloro-2-fluorophenyl)methyl]-5-(chloromethyl)triazole-4-carboxylate
CID 103109385
1-[(3-chlorophenyl)methyl]-5-methyltriazol-4-amine
CID 79542116
1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine
CID 79541938
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
5-tert-butyl-1-[(2-chloro-3-fluorophenyl)methyl]triazol-4-amine
CID 112654981
1-[(2-chlorophenyl)methyl]-5-ethyltriazol-4-amine
CID 79542823
1-[(3-chloro-2-fluorophenyl)methyl]-5-propyltriazole-4-carboxylic acid
CID 102858558
1-[(3-chloro-2-fluorophenyl)methyl]-4-(1-chloropropyl)-3,5-dimethylpyrazole
CID 102859568
[1-[(2-chlorophenyl)methyl]-5-methyltriazol-4-yl]methanol
CID 82203375
N-[[1-[(3-chloro-2-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 102861828

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine (CID 102864092) is 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine is Cc1c(N)nnn1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine?
The InChIKey is SZGCULAUYXOONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-6-10(13)14-15-16(6)5-7-3-2-4-8(11)9(7)12/h2-4H,5,13H2,1H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine?
1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine has a molecular weight of 240.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-5-methyltriazol-4-amine is sourced from PubChem (CID 102864092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).