N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine

C15H18N4O — CID 103074981

IUPACN-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-12(9-16-13-7-8-13)10-20-15-17-11-19(18-15)14-5-3-2-4-6-14/h2-6,11,13,16H,1,7-10H2
InChIKeyCCNNNEILKUUWIZ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.95
Rot. Bonds7

About N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine

N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103074981) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine
PubChem CID103074981
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COc1ncn(-c2ccccc2)n1
InChIInChI=1S/C15H18N4O/c1-12(9-16-13-7-8-13)10-20-15-17-11-19(18-15)14-5-3-2-4-6-14/h2-6,11,13,16H,1,7-10H2
InChIKeyCCNNNEILKUUWIZ-UHFFFAOYSA-N
XLogP1.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]acetamide
CID 1486531
N-[2-[(2-bromophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066410
[2-[2-[(cyclopropylamino)methyl]prop-2-enoxy]phenyl]methanol
CID 103067254
N-[2-[(2-propoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066359
N-[2-[(2-ethylphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066925
N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]propanamide
CID 171138634
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
1-morpholin-4-yl-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138651
1-(4-ethylpiperazin-1-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)oxy]ethanone
CID 171138674
2-methyl-3-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-N-propylpropan-1-amine
CID 103074978
2-[2-[(cyclopropylamino)methyl]prop-2-enyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 103071840
N-[2-[(2,5-difluorophenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103067234

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine (CID 103074981) is N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COc1ncn(-c2ccccc2)n1.
What is the InChIKey of N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is CCNNNEILKUUWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12(9-16-13-7-8-13)10-20-15-17-11-19(18-15)14-5-3-2-4-6-14/h2-6,11,13,16H,1,7-10H2.
What are the key properties of N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine?
N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 270.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-phenyl-1,2,4-triazol-3-yl)oxymethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).