[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine

C11H18N6O — CID 165474730

IUPAC[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
SMILESCCOCCn1nnc(CN)c1-c1ccnn1C
InChIInChI=1S/C11H18N6O/c1-3-18-7-6-17-11(9(8-12)14-15-17)10-4-5-13-16(10)2/h4-5H,3,6-8,12H2,1-2H3
InChIKeyRPZNSFCNFBSGIE-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.17
Rot. Bonds6

About [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine

[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine (PubChem CID 165474730) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
PubChem CID165474730
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
SMILESCCOCCn1nnc(CN)c1-c1ccnn1C
InChIInChI=1S/C11H18N6O/c1-3-18-7-6-17-11(9(8-12)14-15-17)10-4-5-13-16(10)2/h4-5H,3,6-8,12H2,1-2H3
InChIKeyRPZNSFCNFBSGIE-UHFFFAOYSA-N
XLogP0.17
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.17
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

[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
CID 165474789
1-ethyl-5-(2-methylpyrazol-3-yl)triazol-4-amine
CID 165474795
5-(2-methylpyrazol-3-yl)-1-(2-propan-2-ylsulfanylethyl)triazol-4-amine
CID 165485126
5-(2-methylpyrazol-3-yl)-1-(1,2-oxazol-3-ylmethyl)triazol-4-amine
CID 165474811
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
CID 106458252
5-(dimethoxymethyl)-1-(2-ethoxyethyl)pyrazole
CID 118157112
ethyl 1-(2-ethoxyethyl)-5-(1-methylimidazol-2-yl)triazole-4-carboxylate
CID 103116657
[5-(3,5-dimethoxyphenyl)-1-pentyltriazol-4-yl]methanamine
CID 82205848
[5-(3-methoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205137
1-[(2-methylcyclopropyl)methyl]-5-(2-methylpyrazol-3-yl)triazol-4-amine
CID 165485081
(1-octyl-5-phenyltriazol-4-yl)methanamine
CID 126566340

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
The IUPAC name of [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine (CID 165474730) is [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
The canonical SMILES for [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine is CCOCCn1nnc(CN)c1-c1ccnn1C.
What is the InChIKey of [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
The InChIKey is RPZNSFCNFBSGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-3-18-7-6-17-11(9(8-12)14-15-17)10-4-5-13-16(10)2/h4-5H,3,6-8,12H2,1-2H3.
What are the key properties of [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine?
[1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine has a molecular weight of 250.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 165474730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).