N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H14BrN5 — CID 80667794

IUPACN-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCBr)C2CC2)n2ncnc2n1
InChIInChI=1S/C11H14BrN5/c1-8-6-10(16(5-4-12)9-2-3-9)17-11(15-8)13-7-14-17/h6-7,9H,2-5H2,1H3
InChIKeyGJQNFXYYWRJEQP-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.80
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 80667794) has the molecular formula C11H14BrN5 and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID80667794
Molecular FormulaC11H14BrN5
Molecular Weight296.17 g/mol
Exact Mass295.04
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(CCBr)C2CC2)n2ncnc2n1
InChIInChI=1S/C11H14BrN5/c1-8-6-10(16(5-4-12)9-2-3-9)17-11(15-8)13-7-14-17/h6-7,9H,2-5H2,1H3
InChIKeyGJQNFXYYWRJEQP-UHFFFAOYSA-N
XLogP1.80
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 61147154
N-cyclopropyl-5-methyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133285786
2-[cyclopentyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
CID 54998670
N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 63764931
N-cyclopropyl-N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62588189
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918898
4-[methyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexan-1-one
CID 79120607
N'-methyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 62592638
N-(2-chloroethyl)-5-methyl-N-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63392205
N-(2-bromoethyl)-N-cyclopropyl-2,6-dimethylpyrimidin-4-amine
CID 80668097
N-butyl-N-(2-chloroethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63388873
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-prop-2-enylamino]ethanol
CID 115658382

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 80667794) is N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(CCBr)C2CC2)n2ncnc2n1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GJQNFXYYWRJEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5/c1-8-6-10(16(5-4-12)9-2-3-9)17-11(15-8)13-7-14-17/h6-7,9H,2-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 296.17 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 80667794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).