N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine

C13H16N4O — CID 66204621

IUPACN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-n2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C13H16N4O/c1-18-13-6-4-12(5-7-13)17-9-11(15-16-17)8-14-10-2-3-10/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeySIGOYRWXKLOGDC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.53
Rot. Bonds5

About N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66204621) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66204621
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine
SMILESCOc1ccc(-n2cc(CNC3CC3)nn2)cc1
InChIInChI=1S/C13H16N4O/c1-18-13-6-4-12(5-7-13)17-9-11(15-16-17)8-14-10-2-3-10/h4-7,9-10,14H,2-3,8H2,1H3
InChIKeySIGOYRWXKLOGDC-UHFFFAOYSA-N
XLogP1.53
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-tert-butylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66207271
N-[[1-(4-methylsulfanylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 66205641
2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66204828
1-cyclopropyl-3-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methylurea
CID 71855557
N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine
CID 66204627
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971559
N-[[1-(4-bromo-3,5-dimethylphenyl)triazol-4-yl]methyl]cyclopropanamine
CID 107580475
N-[(1-phenyltriazol-4-yl)methyl]spiro[2.5]octan-6-amine
CID 154863068
N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106719791
N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]cyclopropanamine
CID 66205668
[1-(4-methoxyphenyl)triazol-4-yl]methyl acetate
CID 11413946

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine (CID 66204621) is N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine is COc1ccc(-n2cc(CNC3CC3)nn2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SIGOYRWXKLOGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-13-6-4-12(5-7-13)17-9-11(15-16-17)8-14-10-2-3-10/h4-7,9-10,14H,2-3,8H2,1H3.
What are the key properties of N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 244.30 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66204621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).