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

C10H12ClN5 — CID 102919185

IUPAC5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1cc(Cl)nc2ncnn12)C1CCC1
InChIInChI=1S/C10H12ClN5/c1-15(7-3-2-4-7)9-5-8(11)14-10-12-6-13-16(9)10/h5-7H,2-4H2,1H3
InChIKeyNITGHUXIEODVLR-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.77
Rot. Bonds2

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

5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102919185) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102919185
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(c1cc(Cl)nc2ncnn12)C1CCC1
InChIInChI=1S/C10H12ClN5/c1-15(7-3-2-4-7)9-5-8(11)14-10-12-6-13-16(9)10/h5-7H,2-4H2,1H3
InChIKeyNITGHUXIEODVLR-UHFFFAOYSA-N
XLogP1.77
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102919185) is 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(c1cc(Cl)nc2ncnn12)C1CCC1.
What is the InChIKey of 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NITGHUXIEODVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-15(7-3-2-4-7)9-5-8(11)14-10-12-6-13-16(9)10/h5-7H,2-4H2,1H3.
What are the key properties of 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 237.69 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102919185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).