1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride

C8H10BrClN6 — CID 174214461

IUPAC1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(Br)nn1-c1ncccn1.Cl
InChIInChI=1S/C8H9BrN6.ClH/c1-5(10)6-13-7(9)14-15(6)8-11-3-2-4-12-8;/h2-5H,10H2,1H3;1H
InChIKeyDJUFXBKITIWKEG-UHFFFAOYSA-N
MW305.57 g/mol
LogP1.26
Rot. Bonds2

About 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride

1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride (PubChem CID 174214461) has the molecular formula C8H10BrClN6 and a molecular weight of 305.57 g/mol. Its IUPAC name is 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
PubChem CID174214461
Molecular FormulaC8H10BrClN6
Molecular Weight305.57 g/mol
Exact Mass303.98
IUPAC Name1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1nc(Br)nn1-c1ncccn1.Cl
InChIInChI=1S/C8H9BrN6.ClH/c1-5(10)6-13-7(9)14-15(6)8-11-3-2-4-12-8;/h2-5H,10H2,1H3;1H
InChIKeyDJUFXBKITIWKEG-UHFFFAOYSA-N
XLogP1.26
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.57
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1S)-1-aminoethyl]-1-pyrimidin-2-yl-1,2,4-triazol-3-amine
CID 155586710
1-(5-chloro-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 155586669
5-(1-bromoethyl)-1-pyrimidin-2-yl-1,2,4-triazole-3-carbonitrile
CID 166567908
(1R)-1-pyrimidin-2-ylethanamine;hydrochloride
CID 146680703
3-bromo-1-methyl-5-propan-2-yl-1,2,4-triazole
CID 75488615
2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine
CID 156732322
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
6,8-dibromo-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]quinazolin-4-amine
CID 166568069
azane;2-(3,5-dimethyl-1,2,4-triazol-1-yl)pyrimidine
CID 175302032
2-(5-chloro-3-methyl-1,2,4-triazol-1-yl)pyrimidine
CID 30032568
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
2-[4-(1-chloroethyl)-5-methylpyrazol-1-yl]pyrimidine
CID 66489504

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride (CID 174214461) is 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride is CC(N)c1nc(Br)nn1-c1ncccn1.Cl.
What is the InChIKey of 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
The InChIKey is DJUFXBKITIWKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN6.ClH/c1-5(10)6-13-7(9)14-15(6)8-11-3-2-4-12-8;/h2-5H,10H2,1H3;1H.
What are the key properties of 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride?
1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride has a molecular weight of 305.57 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 174214461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).