(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C11H13ClN6O — CID 53193615

IUPAC(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCn3cnnc3C2)n1
InChIInChI=1S/C11H13ClN6O/c1-2-18-5-8(12)10(15-18)11(19)16-3-4-17-7-13-14-9(17)6-16/h5,7H,2-4,6H2,1H3
InChIKeyNZBMGNNBPSMYME-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.80
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 53193615) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID53193615
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCCn1cc(Cl)c(C(=O)N2CCn3cnnc3C2)n1
InChIInChI=1S/C11H13ClN6O/c1-2-18-5-8(12)10(15-18)11(19)16-3-4-17-7-13-14-9(17)6-16/h5,7H,2-4,6H2,1H3
InChIKeyNZBMGNNBPSMYME-UHFFFAOYSA-N
XLogP0.80
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 53193615) is (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is CCn1cc(Cl)c(C(=O)N2CCn3cnnc3C2)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is NZBMGNNBPSMYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-2-18-5-8(12)10(15-18)11(19)16-3-4-17-7-13-14-9(17)6-16/h5,7H,2-4,6H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
(4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 280.72 g/mol, XLogP of 0.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 53193615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).