N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

C15H20N4O — CID 114521795

IUPACN-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)c1ncn[nH]1
InChIInChI=1S/C15H20N4O/c1-2-8-16-14(15-17-10-18-19-15)11-4-3-5-13(9-11)20-12-6-7-12/h3-5,9-10,12,14,16H,2,6-8H2,1H3,(H,17,18,19)
InChIKeyLYPRVTLZRHYEIL-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.43
Rot. Bonds7

About N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine

N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (PubChem CID 114521795) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
PubChem CID114521795
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(OC2CC2)c1)c1ncn[nH]1
InChIInChI=1S/C15H20N4O/c1-2-8-16-14(15-17-10-18-19-15)11-4-3-5-13(9-11)20-12-6-7-12/h3-5,9-10,12,14,16H,2,6-8H2,1H3,(H,17,18,19)
InChIKeyLYPRVTLZRHYEIL-UHFFFAOYSA-N
XLogP2.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyclopropyloxyphenyl)-(2H-triazol-4-yl)methyl]propan-1-amine
CID 114521996
N-[(3-methylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360196
N-[(3-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360528
N-[1-(3-cyclopropyloxyphenyl)-2-ethoxyethyl]propan-1-amine
CID 114521822
N-[(3-cyclopropyloxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114521778
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
1-(3-cyclopropyloxyphenyl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114521599
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114603414
N-[(4-propoxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360258
N-[2,3-dihydro-1,4-benzodioxin-6-yl(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine
CID 65360463
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]propan-1-amine
CID 107191379

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine (CID 114521795) is N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is CCCNC(c1cccc(OC2CC2)c1)c1ncn[nH]1.
What is the InChIKey of N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
The InChIKey is LYPRVTLZRHYEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-8-16-14(15-17-10-18-19-15)11-4-3-5-13(9-11)20-12-6-7-12/h3-5,9-10,12,14,16H,2,6-8H2,1H3,(H,17,18,19).
What are the key properties of N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine?
N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyloxyphenyl)-(1H-1,2,4-triazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 114521795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).