N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine

C12H15FN4 — CID 114222552

IUPACN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine
SMILESCc1cc(CNc2cnnn2C)cc(C)c1F
InChIInChI=1S/C12H15FN4/c1-8-4-10(5-9(2)12(8)13)6-14-11-7-15-16-17(11)3/h4-5,7,14H,6H2,1-3H3
InChIKeyNFSRZIHHEPCYHA-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.18
Rot. Bonds3

About N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine

N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine (PubChem CID 114222552) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine.

Molecular Properties

Compound NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine
PubChem CID114222552
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC NameN-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine
SMILESCc1cc(CNc2cnnn2C)cc(C)c1F
InChIInChI=1S/C12H15FN4/c1-8-4-10(5-9(2)12(8)13)6-14-11-7-15-16-17(11)3/h4-5,7,14H,6H2,1-3H3
InChIKeyNFSRZIHHEPCYHA-UHFFFAOYSA-N
XLogP2.18
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683678
N-[2-(azepan-1-yl)ethyl]-1-benzyltriazol-4-amine
CID 76683883
1-[(4-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683885
1-[(3-fluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76683976
N-(1-benzyltriazol-4-yl)-N',N'-diethylethane-1,2-diamine
CID 76683978
1-[(3,4-difluorophenyl)methyl]-N-(2-piperidin-1-ylethyl)triazol-4-amine
CID 76684100
1-[(3,4-difluorophenyl)methyl]-N-[2-(4,4-difluoropiperidin-1-yl)ethyl]triazol-4-amine
CID 76684202
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 76684208
N-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]-1-[(4-fluorophenyl)methyl]triazol-4-amine
CID 118565438
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]triazol-4-amine
CID 76683881
N-(2-(4-cyclohexylpiperazin-1-yl)ethyl)-1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-amine
CID 76684563
1-benzyl-1H-1,2,3-triazol-4-amine
CID 56766768

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine?
The IUPAC name of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine (CID 114222552) is N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine.
What is the SMILES notation for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine?
The canonical SMILES for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine is Cc1cc(CNc2cnnn2C)cc(C)c1F.
What is the InChIKey of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine?
The InChIKey is NFSRZIHHEPCYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c1-8-4-10(5-9(2)12(8)13)6-14-11-7-15-16-17(11)3/h4-5,7,14H,6H2,1-3H3.
What are the key properties of N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine?
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine has a molecular weight of 234.28 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methyltriazol-4-amine is sourced from PubChem (CID 114222552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).