N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine

C7H11BrN4 — CID 130486387

IUPACN-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine
SMILESC=C(Br)CNc1cnnn1CC
InChIInChI=1S/C7H11BrN4/c1-3-12-7(5-10-11-12)9-4-6(2)8/h5,9H,2-4H2,1H3
InChIKeyPIROYADWEOZEOE-UHFFFAOYSA-N
MW231.10 g/mol
LogP1.62
Rot. Bonds4

About N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine

N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine (PubChem CID 130486387) has the molecular formula C7H11BrN4 and a molecular weight of 231.10 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine
PubChem CID130486387
Molecular FormulaC7H11BrN4
Molecular Weight231.10 g/mol
Exact Mass230.02
IUPAC NameN-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine
SMILESC=C(Br)CNc1cnnn1CC
InChIInChI=1S/C7H11BrN4/c1-3-12-7(5-10-11-12)9-4-6(2)8/h5,9H,2-4H2,1H3
InChIKeyPIROYADWEOZEOE-UHFFFAOYSA-N
XLogP1.62
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-ethyltriazol-4-amine
CID 130500280
N-tert-butyl-3-[(3-ethyltriazol-4-yl)amino]propanamide
CID 114222593
1-ethyl-5-prop-1-en-2-yltriazole
CID 115011317
3-ethyl-N-[(4-methoxyphenyl)methyl]triazol-4-amine
CID 114222411
3-[(3-ethyltriazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 114222597
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
CID 114222846
2-(3-ethyltriazol-4-yl)propan-2-ol
CID 115012063
3-ethyl-N-(1-methylpyrazol-4-yl)triazol-4-amine
CID 130486189
3-ethyl-N-(3-methoxycyclobutyl)triazol-4-amine
CID 130486514
1-(3-ethyltriazol-4-yl)-2,2-dimethylpropan-1-one
CID 126974247
3-ethyl-N-(1-methylpyrrolidin-3-yl)triazol-4-amine
CID 130486233
N-ethyl-3-methyltriazol-4-amine
CID 130486129

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine (CID 130486387) is N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine is C=C(Br)CNc1cnnn1CC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine?
The InChIKey is PIROYADWEOZEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4/c1-3-12-7(5-10-11-12)9-4-6(2)8/h5,9H,2-4H2,1H3.
What are the key properties of N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine?
N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine has a molecular weight of 231.10 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine is sourced from PubChem (CID 130486387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).