N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

C15H20N4O — CID 106281955

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCOc1ccc(C(NC(C)c2ncn[nH]2)C2CC2)cc1
InChIInChI=1S/C15H20N4O/c1-10(15-16-9-17-19-15)18-14(11-3-4-11)12-5-7-13(20-2)8-6-12/h5-11,14,18H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyOAQWTYQQXSQJHP-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.62
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 106281955) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID106281955
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESCOc1ccc(C(NC(C)c2ncn[nH]2)C2CC2)cc1
InChIInChI=1S/C15H20N4O/c1-10(15-16-9-17-19-15)18-14(11-3-4-11)12-5-7-13(20-2)8-6-12/h5-11,14,18H,3-4H2,1-2H3,(H,16,17,19)
InChIKeyOAQWTYQQXSQJHP-UHFFFAOYSA-N
XLogP2.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-pyrazol-4-yl)ethanamine
CID 106209383
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpentan-3-amine
CID 61468819
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675
3-(4-methoxyphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]cyclobutan-1-amine
CID 106281880
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
3-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]pentan-1-ol
CID 115898508
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
1-(4-methylphenyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 114167978

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 106281955) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is COc1ccc(C(NC(C)c2ncn[nH]2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is OAQWTYQQXSQJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(15-16-9-17-19-15)18-14(11-3-4-11)12-5-7-13(20-2)8-6-12/h5-11,14,18H,3-4H2,1-2H3,(H,16,17,19).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 272.35 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 106281955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).