6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine

C12H15N5 — CID 142417459

IUPAC6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine
SMILESCC1(C)CCc2nnc(-c3cccc(N)n3)n21
InChIInChI=1S/C12H15N5/c1-12(2)7-6-10-15-16-11(17(10)12)8-4-3-5-9(13)14-8/h3-5H,6-7H2,1-2H3,(H2,13,14)
InChIKeyZHJRMXGGDDMYNE-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.60
Rot. Bonds1

About 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine

6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine (PubChem CID 142417459) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine
PubChem CID142417459
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine
SMILESCC1(C)CCc2nnc(-c3cccc(N)n3)n21
InChIInChI=1S/C12H15N5/c1-12(2)7-6-10-15-16-11(17(10)12)8-4-3-5-9(13)14-8/h3-5H,6-7H2,1-2H3,(H2,13,14)
InChIKeyZHJRMXGGDDMYNE-UHFFFAOYSA-N
XLogP1.60
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine?
The IUPAC name of 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine (CID 142417459) is 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine?
The canonical SMILES for 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine is CC1(C)CCc2nnc(-c3cccc(N)n3)n21.
What is the InChIKey of 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine?
The InChIKey is ZHJRMXGGDDMYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-12(2)7-6-10-15-16-11(17(10)12)8-4-3-5-9(13)14-8/h3-5H,6-7H2,1-2H3,(H2,13,14).
What are the key properties of 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine?
6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine has a molecular weight of 229.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 142417459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).