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

C15H20N4O — CID 106598409

IUPACN-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCn1cnc(OCc2ccc(CCNC3CC3)cc2)n1
InChIInChI=1S/C15H20N4O/c1-19-11-17-15(18-19)20-10-13-4-2-12(3-5-13)8-9-16-14-6-7-14/h2-5,11,14,16H,6-10H2,1H3
InChIKeyIYZQXWDNNAHCCC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds7

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

N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine (PubChem CID 106598409) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
PubChem CID106598409
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
SMILESCn1cnc(OCc2ccc(CCNC3CC3)cc2)n1
InChIInChI=1S/C15H20N4O/c1-19-11-17-15(18-19)20-10-13-4-2-12(3-5-13)8-9-16-14-6-7-14/h2-5,11,14,16H,6-10H2,1H3
InChIKeyIYZQXWDNNAHCCC-UHFFFAOYSA-N
XLogP1.69
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine
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CID 105351121
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine (CID 106598409) is N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine is Cn1cnc(OCc2ccc(CCNC3CC3)cc2)n1.
What is the InChIKey of N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
The InChIKey is IYZQXWDNNAHCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-11-17-15(18-19)20-10-13-4-2-12(3-5-13)8-9-16-14-6-7-14/h2-5,11,14,16H,6-10H2,1H3.
What are the key properties of N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine?
N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine has a molecular weight of 272.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(1-methyl-1,2,4-triazol-3-yl)oxymethyl]phenyl]ethyl]cyclopropanamine is sourced from PubChem (CID 106598409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).