5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine

C5H9BrN4O — CID 103098738

IUPAC5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine
SMILESCCOCn1nc(N)nc1Br
InChIInChI=1S/C5H9BrN4O/c1-2-11-3-10-4(6)8-5(7)9-10/h2-3H2,1H3,(H2,7,9)
InChIKeyQHNSJRGLANFSMQ-UHFFFAOYSA-N
MW221.06 g/mol
LogP0.62
Rot. Bonds3

About 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine

5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine (PubChem CID 103098738) has the molecular formula C5H9BrN4O and a molecular weight of 221.06 g/mol. Its IUPAC name is 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine
PubChem CID103098738
Molecular FormulaC5H9BrN4O
Molecular Weight221.06 g/mol
Exact Mass220.00
IUPAC Name5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine
SMILESCCOCn1nc(N)nc1Br
InChIInChI=1S/C5H9BrN4O/c1-2-11-3-10-4(6)8-5(7)9-10/h2-3H2,1H3,(H2,7,9)
InChIKeyQHNSJRGLANFSMQ-UHFFFAOYSA-N
XLogP0.62
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.06
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-[(2,2,2-trifluoroethoxy)methyl]-1H-1,2,4-triazol-3-amine
CID 106704862
5-Methoxy-1-methyl-1H-1,2,4-triazol-3-amine
CID 12957664
5-Ethoxy-2-methyl-1,2,4-triazol-3-amine
CID 12957670
5-ethoxy-N,4-dimethyl-1,2,4-triazol-3-amine
CID 112596254
3-Bromo-1-(methoxymethyl)-1h-1,2,4-triazol-5-amine
CID 122714684
5-Ethoxy-4-methyl-1,2,4-triazol-3-amine
CID 166115218
3-Ethoxy-5-methoxy-1-methyl-1,2,4-triazole
CID 177025063
3-Methoxy-1-methyl-1H-1,2,4-triazol-5-amine
CID 12957669
1-(ethoxymethyl)-1H-1,2,4-triazol-3-amine
CID 65369127
5-Ethoxy-2-ethyl-1,2,4-triazol-3-amine
CID 79872612
3-Bromo-5-ethoxy-1-(methoxymethyl)-1H-1,2,4-triazole
CID 82018839
3-bromo-5-(2-methoxyethoxy)-1-(methoxymethyl)-1H-1,2,4-triazole
CID 91691085

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine?
The IUPAC name of 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine (CID 103098738) is 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine is CCOCn1nc(N)nc1Br.
What is the InChIKey of 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine?
The InChIKey is QHNSJRGLANFSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN4O/c1-2-11-3-10-4(6)8-5(7)9-10/h2-3H2,1H3,(H2,7,9).
What are the key properties of 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine?
5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine has a molecular weight of 221.06 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(ethoxymethyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 103098738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).