5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide

C5H12BrN5 — CID 6602727

IUPAC5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide
SMILESBr.CNCCc1nc(N)n[nH]1
InChIInChI=1S/C5H11N5.BrH/c1-7-3-2-4-8-5(6)10-9-4;/h7H,2-3H2,1H3,(H3,6,8,9,10);1H
InChIKeySESCGWKAOQDJQO-UHFFFAOYSA-N
MW222.09 g/mol
LogP-0.27
Rot. Bonds3

About 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide

5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide (PubChem CID 6602727) has the molecular formula C5H12BrN5 and a molecular weight of 222.09 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide
PubChem CID6602727
Molecular FormulaC5H12BrN5
Molecular Weight222.09 g/mol
Exact Mass221.03
IUPAC Name5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide
SMILESBr.CNCCc1nc(N)n[nH]1
InChIInChI=1S/C5H11N5.BrH/c1-7-3-2-4-8-5(6)10-9-4;/h7H,2-3H2,1H3,(H3,6,8,9,10);1H
InChIKeySESCGWKAOQDJQO-UHFFFAOYSA-N
XLogP-0.27
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.09
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide?
The IUPAC name of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide (CID 6602727) is 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide.
What is the SMILES notation for 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide?
The canonical SMILES for 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide is Br.CNCCc1nc(N)n[nH]1.
What is the InChIKey of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide?
The InChIKey is SESCGWKAOQDJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5.BrH/c1-7-3-2-4-8-5(6)10-9-4;/h7H,2-3H2,1H3,(H3,6,8,9,10);1H.
What are the key properties of 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide?
5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide has a molecular weight of 222.09 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]-1H-1,2,4-triazol-3-amine;hydrobromide is sourced from PubChem (CID 6602727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).