5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C5H4ClN5 — CID 103691667

IUPAC5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C5H4ClN5/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H,7H2
InChIKeyZQTUNHJJOPOZEZ-UHFFFAOYSA-N
MW169.58 g/mol
LogP0.36
Rot. Bonds

About 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 103691667) has the molecular formula C5H4ClN5 and a molecular weight of 169.58 g/mol. Its IUPAC name is 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID103691667
Molecular FormulaC5H4ClN5
Molecular Weight169.58 g/mol
Exact Mass169.02
IUPAC Name5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESNc1cc(Cl)nc2ncnn12
InChIInChI=1S/C5H4ClN5/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H,7H2
InChIKeyZQTUNHJJOPOZEZ-UHFFFAOYSA-N
XLogP0.36
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.58
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine
CID 3161243
[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine
CID 2763474
7-Chloropyrazolo[1,5-a]pyrimidine
CID 12281647
7-Aminopyrazolo(1,5-a)pyrimidine
CID 15379137
5-Chloropyrazolo(1,5-a)pyrimidine
CID 21071759
3-Tert-butyl-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144431
4-Chloro-6-(1H-pyrazol-1-yl)pyrimidine
CID 10631239
Pyrazolo(1,5-a)(1,3,5)triazin-4-amine
CID 12210227
5,7-Dichloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 13491837
7-Chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 16227411
7-Chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 21766612
5-Chloro-3-iodopyrazolo[1,5-a]pyrimidin-7-amine
CID 23539610

Frequently Asked Questions

What is the IUPAC name of 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 103691667) is 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Nc1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZQTUNHJJOPOZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClN5/c6-3-1-4(7)11-5(10-3)8-2-9-11/h1-2H,7H2.
What are the key properties of 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 169.58 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 103691667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).