7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

C10H11N5 — CID 136709404

IUPAC7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CCNc3ncnn32)nc1
InChIInChI=1S/C10H11N5/c1-2-5-11-8(3-1)9-4-6-12-10-13-7-14-15(9)10/h1-3,5,7,9H,4,6H2,(H,12,13,14)
InChIKeyABGWZLNWWXVXRC-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.08
Rot. Bonds1

About 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 136709404) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID136709404
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESc1ccc(C2CCNc3ncnn32)nc1
InChIInChI=1S/C10H11N5/c1-2-5-11-8(3-1)9-4-6-12-10-13-7-14-15(9)10/h1-3,5,7,9H,4,6H2,(H,12,13,14)
InChIKeyABGWZLNWWXVXRC-UHFFFAOYSA-N
XLogP1.08
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-naphthalen-1-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709385
3-methyl-7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136837484
2-propan-2-yl-7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137012133
7-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709421
7-(4-ethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709411
7-(3-fluoro-4-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136709412
7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136839508
7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 136933774
methyl 7-pyridin-2-yl-4,5,6,7-tetrahydrotriazolo[1,5-a]pyrimidine-3-carboxylate
CID 136709658
methyl 2-methyl-7-pyridin-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 136837826
(5S,7R)-5,7-diphenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 811475
(5R,7S)-5-methyl-7-phenyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 718343

Frequently Asked Questions

What is the IUPAC name of 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 136709404) is 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is c1ccc(C2CCNc3ncnn32)nc1.
What is the InChIKey of 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ABGWZLNWWXVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c1-2-5-11-8(3-1)9-4-6-12-10-13-7-14-15(9)10/h1-3,5,7,9H,4,6H2,(H,12,13,14).
What are the key properties of 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 201.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-2-yl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 136709404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).