5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C12H16ClN5O — CID 102918851

IUPAC5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CC1CCCOC1)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H16ClN5O/c1-17(6-9-3-2-4-19-7-9)11-5-10(13)16-12-14-8-15-18(11)12/h5,8-9H,2-4,6-7H2,1H3
InChIKeyGOIJVYJWRCDOOB-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.64
Rot. Bonds3

About 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918851) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918851
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CC1CCCOC1)c1cc(Cl)nc2ncnn12
InChIInChI=1S/C12H16ClN5O/c1-17(6-9-3-2-4-19-7-9)11-5-10(13)16-12-14-8-15-18(11)12/h5,8-9H,2-4,6-7H2,1H3
InChIKeyGOIJVYJWRCDOOB-UHFFFAOYSA-N
XLogP1.64
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-methyl-N-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918479
5-chloro-N-cyclobutyl-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919185
2-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carbonitrile
CID 83076998
5-chloro-N-(1-cyclopropylethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918468
4-(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-3-ethylmorpholine
CID 102918480
5-chloro-N-[(4-methoxyphenyl)methyl]-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918526
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580694
3,5,6-trifluoro-N-methyl-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114072561
5-chloro-2-hydrazinyl-N-methyl-N-(oxan-3-ylmethyl)pyrimidin-4-amine
CID 80909109
3-chloro-6-[methyl(oxan-3-ylmethyl)amino]pyridine-2-carboxylic acid
CID 63707725
5-bromo-3-fluoro-N-methyl-N-[[(3R)-oxan-3-yl]methyl]pyridin-2-amine
CID 129413890
2-N,4-N-dimethyl-4-N-(oxan-3-ylmethyl)pyridine-2,4-diamine
CID 113367845

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918851) is 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CN(CC1CCCOC1)c1cc(Cl)nc2ncnn12.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GOIJVYJWRCDOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-17(6-9-3-2-4-19-7-9)11-5-10(13)16-12-14-8-15-18(11)12/h5,8-9H,2-4,6-7H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 281.75 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).