[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine

C14H20N4O — CID 43524988

IUPAC[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1nnc(C)n1C
InChIInChI=1S/C14H20N4O/c1-9-5-12(7-15)6-10(2)14(9)19-8-13-17-16-11(3)18(13)4/h5-6H,7-8,15H2,1-4H3
InChIKeyBXSHPANFAZLAQC-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.78
Rot. Bonds4

About [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine

[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine (PubChem CID 43524988) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
PubChem CID43524988
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1OCc1nnc(C)n1C
InChIInChI=1S/C14H20N4O/c1-9-5-12(7-15)6-10(2)14(9)19-8-13-17-16-11(3)18(13)4/h5-6H,7-8,15H2,1-4H3
InChIKeyBXSHPANFAZLAQC-UHFFFAOYSA-N
XLogP1.78
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-bromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]methanamine
CID 63044621
3,5-dibromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 43524973
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,4-dimethylaniline
CID 62019074
[3,5-dimethyl-4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)phenyl]methanamine
CID 107076318
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]ethanamine
CID 112614892
1-[5-bromo-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 115962851
1-[3,5-dibromo-4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]phenyl]-N-methylmethanamine
CID 107741967
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-difluorobenzoic acid
CID 79888084
3-(methoxymethyl)-4,5-dimethyl-1,2,4-triazole
CID 58259870
[3,5-dimethyl-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanamine
CID 114526998
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-2,5-difluoroaniline
CID 55217994
[3,5-dimethyl-4-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]methanamine
CID 60879041

Frequently Asked Questions

What is the IUPAC name of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The IUPAC name of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine (CID 43524988) is [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine.
What is the SMILES notation for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The canonical SMILES for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine is Cc1cc(CN)cc(C)c1OCc1nnc(C)n1C.
What is the InChIKey of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
The InChIKey is BXSHPANFAZLAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-5-12(7-15)6-10(2)14(9)19-8-13-17-16-11(3)18(13)4/h5-6H,7-8,15H2,1-4H3.
What are the key properties of [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine?
[4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-3,5-dimethylphenyl]methanamine is sourced from PubChem (CID 43524988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).