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

C11H14ClN5O — CID 102918997

IUPAC5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC1(CNc2cc(Cl)nc3ncnn23)CCCO1
InChIInChI=1S/C11H14ClN5O/c1-11(3-2-4-18-11)6-13-9-5-8(12)16-10-14-7-15-17(9)10/h5,7,13H,2-4,6H2,1H3
InChIKeyNXPMEAYIVHNBBW-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.76
Rot. Bonds3

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

5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 102918997) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID102918997
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCC1(CNc2cc(Cl)nc3ncnn23)CCCO1
InChIInChI=1S/C11H14ClN5O/c1-11(3-2-4-18-11)6-13-9-5-8(12)16-10-14-7-15-17(9)10/h5,7,13H,2-4,6H2,1H3
InChIKeyNXPMEAYIVHNBBW-UHFFFAOYSA-N
XLogP1.76
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
[1-[[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]cyclopropyl]methanol
CID 102919048
5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194022
2-tert-butyl-6-chloro-N-[(2-methyloxolan-2-yl)methyl]pyrimidin-4-amine
CID 80951749
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2,3-dimethylbutan-2-ol
CID 106192366
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
5-chloro-N-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918380
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
5-chloro-N-[(3-methylthiophen-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919005
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 114186751

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 102918997) is 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is CC1(CNc2cc(Cl)nc3ncnn23)CCCO1.
What is the InChIKey of 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NXPMEAYIVHNBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-11(3-2-4-18-11)6-13-9-5-8(12)16-10-14-7-15-17(9)10/h5,7,13H,2-4,6H2,1H3.
What are the key properties of 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 267.72 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methyloxolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 102918997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).