2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine

C11H15N5O — CID 107587095

IUPAC2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C11H15N5O/c1-17-6-5-13-7-10-9-16(15-14-10)11-3-2-4-12-8-11/h2-4,8-9,13H,5-7H2,1H3
InChIKeyBLILZDSCVTYRSO-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.40
Rot. Bonds6

About 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine

2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine (PubChem CID 107587095) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine
PubChem CID107587095
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine
SMILESCOCCNCc1cn(-c2cccnc2)nn1
InChIInChI=1S/C11H15N5O/c1-17-6-5-13-7-10-9-16(15-14-10)11-3-2-4-12-8-11/h2-4,8-9,13H,5-7H2,1H3
InChIKeyBLILZDSCVTYRSO-UHFFFAOYSA-N
XLogP0.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(4-methoxyphenyl)triazol-4-yl]methyl]ethanamine
CID 66204828
methyl 2-(1-pyridin-3-yltriazol-4-yl)acetate
CID 166390284
4-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197820
2-methoxy-N-[[1-(2-methylsulfanylphenyl)triazol-4-yl]methyl]ethanamine
CID 66205453
1-ethyl-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198126
3-[4-(2-chloroethyl)triazol-1-yl]pyridine
CID 107586784
3-methyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]butanamide
CID 121197969
1-(4-methylphenyl)-3-[(1-pyridin-3-yltriazol-4-yl)methyl]urea
CID 121198151
2-methoxy-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17294523
N-[[1-(3-chloro-4-nitrophenyl)triazol-4-yl]methyl]-2-methoxyethanamine
CID 82866145
2,4-dimethyl-N-[(1-pyridin-3-yltriazol-4-yl)methyl]benzamide
CID 121197982
N-[[1-(4-chloro-2-fluorophenyl)triazol-4-yl]methyl]-2-methoxyethanamine
CID 66207079

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine (CID 107587095) is 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine is COCCNCc1cn(-c2cccnc2)nn1.
What is the InChIKey of 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine?
The InChIKey is BLILZDSCVTYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-17-6-5-13-7-10-9-16(15-14-10)11-3-2-4-12-8-11/h2-4,8-9,13H,5-7H2,1H3.
What are the key properties of 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine?
2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine has a molecular weight of 233.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-pyridin-3-yltriazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107587095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).