5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H12ClN5 — CID 102918943

IUPAC5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCC2CC2)n2ncnc2n1
InChIInChI=1S/C10H12ClN5/c11-8-5-9(12-4-3-7-1-2-7)16-10(15-8)13-6-14-16/h5-7,12H,1-4H2
InChIKeyBPJZBQPBWWIZFB-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.99
Rot. Bonds4

About 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918943) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918943
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cc(NCCC2CC2)n2ncnc2n1
InChIInChI=1S/C10H12ClN5/c11-8-5-9(12-4-3-7-1-2-7)16-10(15-8)13-6-14-16/h5-7,12H,1-4H2
InChIKeyBPJZBQPBWWIZFB-UHFFFAOYSA-N
XLogP1.99
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918943) is 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Clc1cc(NCCC2CC2)n2ncnc2n1.
What is the InChIKey of 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is BPJZBQPBWWIZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-8-5-9(12-4-3-7-1-2-7)16-10(15-8)13-6-14-16/h5-7,12H,1-4H2.
What are the key properties of 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 237.69 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).