N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine

C14H20N4 — CID 66205044

IUPACN-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(C)c(-n2cc(CNC(C)C)nn2)c1
InChIInChI=1S/C14H20N4/c1-10(2)15-8-13-9-18(17-16-13)14-7-11(3)5-6-12(14)4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyHDWJVDMTQRPYLY-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.38
Rot. Bonds4

About N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine

N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine (PubChem CID 66205044) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine
PubChem CID66205044
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine
SMILESCc1ccc(C)c(-n2cc(CNC(C)C)nn2)c1
InChIInChI=1S/C14H20N4/c1-10(2)15-8-13-9-18(17-16-13)14-7-11(3)5-6-12(14)4/h5-7,9-10,15H,8H2,1-4H3
InChIKeyHDWJVDMTQRPYLY-UHFFFAOYSA-N
XLogP2.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-methyl-2-nitrophenyl)triazol-4-yl]methyl]propan-2-amine
CID 115912736
N-[[1-(2,5-difluoro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 103587741
N-[[1-(3-fluoro-4-methylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66207273
N-[[1-(2-ethylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66206254
1-[1-(2,4-dimethylphenyl)triazol-4-yl]-N-methylmethanamine
CID 66206874
N-[(1-naphthalen-1-yltriazol-4-yl)methyl]propan-2-amine
CID 66206266
N-[[1-(2-tert-butylphenyl)triazol-4-yl]methyl]propan-2-amine
CID 66204889
N-[[1-(4-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205038
N-[[1-[2-(methoxymethyl)phenyl]triazol-4-yl]methyl]propan-2-amine
CID 66206716
N-[[1-(2,4,6-tribromophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66207291
N-[[1-(3-fluorophenyl)triazol-4-yl]methyl]propan-2-amine
CID 66205643
N-[[1-[(2-chloro-4-methylphenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 106870740

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine (CID 66205044) is N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine is Cc1ccc(C)c(-n2cc(CNC(C)C)nn2)c1.
What is the InChIKey of N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine?
The InChIKey is HDWJVDMTQRPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10(2)15-8-13-9-18(17-16-13)14-7-11(3)5-6-12(14)4/h5-7,9-10,15H,8H2,1-4H3.
What are the key properties of N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine?
N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,5-dimethylphenyl)triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66205044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).