[2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine

C9H18N4O2 — CID 103412848

IUPAC[2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine
SMILESCOCCOCCCn1ncnc1CN
InChIInChI=1S/C9H18N4O2/c1-14-5-6-15-4-2-3-13-9(7-10)11-8-12-13/h8H,2-7,10H2,1H3
InChIKeyGMBQVMONCHWJQD-UHFFFAOYSA-N
MW214.27 g/mol
LogP-0.21
Rot. Bonds8

About [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine

[2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine (PubChem CID 103412848) has the molecular formula C9H18N4O2 and a molecular weight of 214.27 g/mol. Its IUPAC name is [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine
PubChem CID103412848
Molecular FormulaC9H18N4O2
Molecular Weight214.27 g/mol
Exact Mass214.14
IUPAC Name[2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine
SMILESCOCCOCCCn1ncnc1CN
InChIInChI=1S/C9H18N4O2/c1-14-5-6-15-4-2-3-13-9(7-10)11-8-12-13/h8H,2-7,10H2,1H3
InChIKeyGMBQVMONCHWJQD-UHFFFAOYSA-N
XLogP-0.21
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 5-0.21
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-[2-(3-methoxypropoxy)ethyl]-1,2,4-triazol-3-yl]methanol
CID 103183861
[2-[3-(2-methoxyethoxy)propyl]pyrazol-3-yl]methanamine
CID 103413473
(2-propyl-1,2,4-triazol-3-yl)methanamine;hydrochloride
CID 139026277
[4-(2-methoxyethoxy)-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-yl]hydrazine
CID 102929979
[2-(4-phenylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114334607
[2-[4-(oxan-4-yl)butyl]-1,2,4-triazol-3-yl]methanamine
CID 114192599
N-[[2-(4-methoxybutyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 104649613
[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 113427307
2-[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]ethanamine
CID 103412214
[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 114531647
[6-[3-(2-methoxyethoxy)propoxy]pyridazin-3-yl]methanamine
CID 103405953
[5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 104563720

Frequently Asked Questions

What is the IUPAC name of [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine (CID 103412848) is [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine is COCCOCCCn1ncnc1CN.
What is the InChIKey of [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine?
The InChIKey is GMBQVMONCHWJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2/c1-14-5-6-15-4-2-3-13-9(7-10)11-8-12-13/h8H,2-7,10H2,1H3.
What are the key properties of [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine?
[2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine has a molecular weight of 214.27 g/mol, XLogP of -0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(2-methoxyethoxy)propyl]-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 103412848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).