(5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone

C9H11N5O — CID 142259709

IUPAC(5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCC1=CN(C(=O)n2cncn2)N=CC1
InChIInChI=1S/C9H11N5O/c1-2-8-3-4-11-13(5-8)9(15)14-7-10-6-12-14/h4-7H,2-3H2,1H3
InChIKeyBGQDTPIONBBLRJ-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.23
Rot. Bonds1

About (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone

(5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone (PubChem CID 142259709) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone
PubChem CID142259709
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name(5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone
SMILESCCC1=CN(C(=O)n2cncn2)N=CC1
InChIInChI=1S/C9H11N5O/c1-2-8-3-4-11-13(5-8)9(15)14-7-10-6-12-14/h4-7H,2-3H2,1H3
InChIKeyBGQDTPIONBBLRJ-UHFFFAOYSA-N
XLogP1.23
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
The IUPAC name of (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone (CID 142259709) is (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone.
What is the SMILES notation for (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
The canonical SMILES for (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone is CCC1=CN(C(=O)n2cncn2)N=CC1.
What is the InChIKey of (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
The InChIKey is BGQDTPIONBBLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-2-8-3-4-11-13(5-8)9(15)14-7-10-6-12-14/h4-7H,2-3H2,1H3.
What are the key properties of (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone?
(5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone has a molecular weight of 205.22 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-4H-pyridazin-1-yl)-(1,2,4-triazol-1-yl)methanone is sourced from PubChem (CID 142259709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).