N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine

C17H19N5O2 — CID 154836800

IUPACN-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCOCCOc1ccc(CNc2nncn2-c2cccnc2)cc1
InChIInChI=1S/C17H19N5O2/c1-23-9-10-24-16-6-4-14(5-7-16)11-19-17-21-20-13-22(17)15-3-2-8-18-12-15/h2-8,12-13H,9-11H2,1H3,(H,19,21)
InChIKeyBTUBJICEIIMLRR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.30
Rot. Bonds8

About N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine

N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine (PubChem CID 154836800) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine
PubChem CID154836800
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine
SMILESCOCCOc1ccc(CNc2nncn2-c2cccnc2)cc1
InChIInChI=1S/C17H19N5O2/c1-23-9-10-24-16-6-4-14(5-7-16)11-19-17-21-20-13-22(17)15-3-2-8-18-12-15/h2-8,12-13H,9-11H2,1H3,(H,19,21)
InChIKeyBTUBJICEIIMLRR-UHFFFAOYSA-N
XLogP2.30
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-methyl-1,2,4-triazol-3-amine
CID 126806210
4-(2-methoxyethoxy)-N-[(4-methoxyphenyl)methyl]aniline
CID 43734131
3,5-dichloro-N-[[4-(2-methoxyethoxy)phenyl]methyl]aniline
CID 54796924
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-phenylmethoxyaniline
CID 54799476
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
3-[4-(2-methoxyethoxy)phenyl]-1-pyridin-3-yl-5H-pyrrolo[3,2-c]pyridin-4-one
CID 146627206
2-methoxy-N-[[4-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54798109
2-[[4-(2-methoxyethoxy)phenyl]methyl]pyrimidine
CID 151551370
6-(2-methoxyethoxy)-2-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
CID 82455574
3-(2-methoxyethoxy)-5-pyridin-3-yloxypyridine
CID 142784185
N-[(4-methoxyphenyl)methyl]-4-(2-phenoxyethoxy)aniline
CID 54799583
5-N-[(4-methoxyphenyl)methyl]-3-N-(pyridin-3-ylmethyl)-1,2,4-triazine-3,5-diamine
CID 112951026

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine?
The IUPAC name of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine (CID 154836800) is N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine is COCCOc1ccc(CNc2nncn2-c2cccnc2)cc1.
What is the InChIKey of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine?
The InChIKey is BTUBJICEIIMLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-23-9-10-24-16-6-4-14(5-7-16)11-19-17-21-20-13-22(17)15-3-2-8-18-12-15/h2-8,12-13H,9-11H2,1H3,(H,19,21).
What are the key properties of N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine?
N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine has a molecular weight of 325.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-pyridin-3-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 154836800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).