5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C10H10ClN7O — CID 114186751

IUPAC5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc(CCNc2cc(Cl)nc3ncnn23)no1
InChIInChI=1S/C10H10ClN7O/c1-6-15-8(17-19-6)2-3-12-9-4-7(11)16-10-13-5-14-18(9)10/h4-5,12H,2-3H2,1H3
InChIKeyABNCZTCZJXGIKN-UHFFFAOYSA-N
MW279.69 g/mol
LogP1.12
Rot. Bonds4

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

5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 114186751) has the molecular formula C10H10ClN7O and a molecular weight of 279.69 g/mol. Its IUPAC name is 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID114186751
Molecular FormulaC10H10ClN7O
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1nc(CCNc2cc(Cl)nc3ncnn23)no1
InChIInChI=1S/C10H10ClN7O/c1-6-15-8(17-19-6)2-3-12-9-4-7(11)16-10-13-5-14-18(9)10/h4-5,12H,2-3H2,1H3
InChIKeyABNCZTCZJXGIKN-UHFFFAOYSA-N
XLogP1.12
TPSA94.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-N-(2,2-dimethylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918505
ethyl 3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoate
CID 102918711
5-chloro-N-(2-cyclopropylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918943
N-(3-butoxypropyl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919154
5-chloro-N-(2-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918495
5-chloro-N-[2-(3-methylphenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918666
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-methylpropane-1,2-diol
CID 102918962
5-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919080
5-chloro-N-[(4-methylthiophen-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102919006
5-chloro-N-(3-phenoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918753
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133295553
6-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 106421504

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 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) is 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1nc(CCNc2cc(Cl)nc3ncnn23)no1.
What is the InChIKey of 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ABNCZTCZJXGIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN7O/c1-6-15-8(17-19-6)2-3-12-9-4-7(11)16-10-13-5-14-18(9)10/h4-5,12H,2-3H2,1H3.
What are the key properties of 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.69 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 114186751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).