[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine

C14H18N4O — CID 112593150

IUPAC[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCOC(c1ccccc1)c1nnc(CN)n1C1CC1
InChIInChI=1S/C14H18N4O/c1-19-13(10-5-3-2-4-6-10)14-17-16-12(9-15)18(14)11-7-8-11/h2-6,11,13H,7-9,15H2,1H3
InChIKeyUBMKFKDNPSFIGS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.81
Rot. Bonds5

About [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine

[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 112593150) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID112593150
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine
SMILESCOC(c1ccccc1)c1nnc(CN)n1C1CC1
InChIInChI=1S/C14H18N4O/c1-19-13(10-5-3-2-4-6-10)14-17-16-12(9-15)18(14)11-7-8-11/h2-6,11,13H,7-9,15H2,1H3
InChIKeyUBMKFKDNPSFIGS-UHFFFAOYSA-N
XLogP1.81
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethyl)-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanol
CID 115395893
(4-cyclopropyl-5-heptan-3-yl-1,2,4-triazol-3-yl)methanamine
CID 112593136
[4-cyclopropyl-5-[2-(2-methylphenyl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 112593149
[4-cyclopropyl-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314947
[4-cyclopropyl-5-(2-ethylbutylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 82927901
3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 81494334
[4-cyclopropyl-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314327
[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114877746
[4-cyclopropyl-5-[(2-fluoro-4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 102876969
(R)-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-phenylmethanamine
CID 104899179
8-ethyl-3-[methoxy(phenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791572
[4-cyclopropyl-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63314684

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine (CID 112593150) is [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine is COC(c1ccccc1)c1nnc(CN)n1C1CC1.
What is the InChIKey of [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is UBMKFKDNPSFIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-13(10-5-3-2-4-6-10)14-17-16-12(9-15)18(14)11-7-8-11/h2-6,11,13H,7-9,15H2,1H3.
What are the key properties of [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine?
[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 258.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 112593150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).