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

C10H13ClN4 — CID 43144417

IUPAC7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC(C)CCc1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H13ClN4/c1-7(2)3-4-9-13-14-10-5-8(11)12-6-15(9)10/h5-7H,3-4H2,1-2H3
InChIKeyYISJHRDNNMRMJI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.37
Rot. Bonds3

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

7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 43144417) has the molecular formula C10H13ClN4 and a molecular weight of 224.69 g/mol. Its IUPAC name is 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID43144417
Molecular FormulaC10H13ClN4
Molecular Weight224.69 g/mol
Exact Mass224.08
IUPAC Name7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCC(C)CCc1nnc2cc(Cl)ncn12
InChIInChI=1S/C10H13ClN4/c1-7(2)3-4-9-13-14-10-5-8(11)12-6-15(9)10/h5-7H,3-4H2,1-2H3
InChIKeyYISJHRDNNMRMJI-UHFFFAOYSA-N
XLogP2.37
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(2-methoxy-2-methylpropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103020834
7-chloro-3-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327082
7-chloro-3-(naphthalen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327092
7-chloro-3-(naphthalen-1-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327133
7-chloro-3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144497
7-chloro-3-(2,2,2-trifluoroethoxymethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 103208762
3-(7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N-propan-2-ylpropan-1-amine
CID 62041739
7-chloro-3-(3-ethyl-1-methylpyrazol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 66120938
7-chloro-3-(2-methylcyclopropyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144439
7-chloro-3-naphthalen-1-yl-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327135
7-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43248580
7-chloro-3-(furan-2-yl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43144429

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine (CID 43144417) is 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine is CC(C)CCc1nnc2cc(Cl)ncn12.
What is the InChIKey of 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is YISJHRDNNMRMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-7(2)3-4-9-13-14-10-5-8(11)12-6-15(9)10/h5-7H,3-4H2,1-2H3.
What are the key properties of 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine?
7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 224.69 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-methylbutyl)-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 43144417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).