7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine

C10H13ClN4O — CID 103020834

IUPAC7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOC(C)(C)Cc1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H13ClN4O/c1-10(2,16-3)5-9-14-13-8-4-7(11)12-6-15(8)9/h4,6H,5H2,1-3H3
InChIKeyLLXBDPKULPNLSB-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.75
Rot. Bonds3

About 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine

7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 103020834) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID103020834
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCOC(C)(C)Cc1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H13ClN4O/c1-10(2,16-3)5-9-14-13-8-4-7(11)12-6-15(8)9/h4,6H,5H2,1-3H3
InChIKeyLLXBDPKULPNLSB-UHFFFAOYSA-N
XLogP1.75
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144417
7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103208762
7-chloro-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327082
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
methyl 8-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 103022470
7-chloro-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327133
7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327092
7-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43248580
3-(4-tert-butylcyclohexyl)-7-chloro-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62719247
7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144439
7-chloro-3-(3-methoxythiophen-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 81122277
3-(bromomethyl)-5-(2-methoxy-2-methylpropyl)-4-methyl-1,2,4-triazole
CID 103022927

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 103020834) is 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine is COC(C)(C)Cc1nnc2cc(Cl)ncn12.
What is the InChIKey of 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is LLXBDPKULPNLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-10(2,16-3)5-9-14-13-8-4-7(11)12-6-15(8)9/h4,6H,5H2,1-3H3.
What are the key properties of 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 240.69 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 103020834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).