3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine

C14H20N4 — CID 114160081

IUPAC3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
SMILESCc1cc(C)cc(Cn2cc(CCCN)nn2)c1
InChIInChI=1S/C14H20N4/c1-11-6-12(2)8-13(7-11)9-18-10-14(16-17-18)4-3-5-15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyQRLPIEMBOZBWIX-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.83
Rot. Bonds5

About 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine

3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine (PubChem CID 114160081) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
PubChem CID114160081
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine
SMILESCc1cc(C)cc(Cn2cc(CCCN)nn2)c1
InChIInChI=1S/C14H20N4/c1-11-6-12(2)8-13(7-11)9-18-10-14(16-17-18)4-3-5-15/h6-8,10H,3-5,9,15H2,1-2H3
InChIKeyQRLPIEMBOZBWIX-UHFFFAOYSA-N
XLogP1.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(3-aminopropyl)triazol-1-yl]methyl]benzene-1,2,3-triol
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3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazol-4-yl]propan-1-amine
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3-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]triazol-4-yl]propan-1-amine
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3-[1-(pyrazin-2-ylmethyl)triazol-4-yl]propan-1-amine
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3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
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3-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]triazol-4-yl]propan-1-amine
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[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
3-[1-(2-propan-2-yloxyethyl)triazol-4-yl]propan-1-amine
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4-[1-[(5-methylfuran-2-yl)methyl]triazol-4-yl]butan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine?
The IUPAC name of 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine (CID 114160081) is 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine is Cc1cc(C)cc(Cn2cc(CCCN)nn2)c1.
What is the InChIKey of 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine?
The InChIKey is QRLPIEMBOZBWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-11-6-12(2)8-13(7-11)9-18-10-14(16-17-18)4-3-5-15/h6-8,10H,3-5,9,15H2,1-2H3.
What are the key properties of 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine?
3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine has a molecular weight of 244.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethylphenyl)methyl]triazol-4-yl]propan-1-amine is sourced from PubChem (CID 114160081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).