8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C12H12ClN5 — CID 13385736

IUPAC8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)Nc1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C12H12ClN5/c1-7(2)15-11-12-17-14-6-18(12)10-5-8(13)3-4-9(10)16-11/h3-7H,1-2H3,(H,15,16)
InChIKeyXZXVDBBPURDNMY-UHFFFAOYSA-N
MW261.72 g/mol
LogP2.75
Rot. Bonds2

About 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385736) has the molecular formula C12H12ClN5 and a molecular weight of 261.72 g/mol. Its IUPAC name is 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385736
Molecular FormulaC12H12ClN5
Molecular Weight261.72 g/mol
Exact Mass261.08
IUPAC Name8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCC(C)Nc1nc2ccc(Cl)cc2n2cnnc12
InChIInChI=1S/C12H12ClN5/c1-7(2)15-11-12-17-14-6-18(12)10-5-8(13)3-4-9(10)16-11/h3-7H,1-2H3,(H,15,16)
InChIKeyXZXVDBBPURDNMY-UHFFFAOYSA-N
XLogP2.75
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385736) is 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CC(C)Nc1nc2ccc(Cl)cc2n2cnnc12.
What is the InChIKey of 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is XZXVDBBPURDNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5/c1-7(2)15-11-12-17-14-6-18(12)10-5-8(13)3-4-9(10)16-11/h3-7H,1-2H3,(H,15,16).
What are the key properties of 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 261.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).