5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C11H14ClN5 — CID 106197254

IUPAC5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)=CCNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H14ClN5/c1-7(2)4-5-13-10-8(3)9(12)16-11-14-6-15-17(10)11/h4,6,13H,5H2,1-3H3
InChIKeyOLGVUZZFYOKOSU-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.46
Rot. Bonds3

About 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 106197254) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID106197254
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)=CCNc1c(C)c(Cl)nc2ncnn12
InChIInChI=1S/C11H14ClN5/c1-7(2)4-5-13-10-8(3)9(12)16-11-14-6-15-17(10)11/h4,6,13H,5H2,1-3H3
InChIKeyOLGVUZZFYOKOSU-UHFFFAOYSA-N
XLogP2.46
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 106197254) is 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC(C)=CCNc1c(C)c(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OLGVUZZFYOKOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(2)4-5-13-10-8(3)9(12)16-11-14-6-15-17(10)11/h4,6,13H,5H2,1-3H3.
What are the key properties of 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 251.72 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-N-(3-methylbut-2-enyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 106197254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).