2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine

C10H13N3 — CID 90328648

IUPAC2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine
SMILESCC(C)(C)c1cc2cnncc2[nH]1
InChIInChI=1S/C10H13N3/c1-10(2,3)9-4-7-5-11-12-6-8(7)13-9/h4-6,13H,1-3H3
InChIKeyNVEBCMVZQOBPML-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.26
Rot. Bonds

About 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine

2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine (PubChem CID 90328648) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine.

Molecular Properties

Compound Name2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine
PubChem CID90328648
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine
SMILESCC(C)(C)c1cc2cnncc2[nH]1
InChIInChI=1S/C10H13N3/c1-10(2,3)9-4-7-5-11-12-6-8(7)13-9/h4-6,13H,1-3H3
InChIKeyNVEBCMVZQOBPML-UHFFFAOYSA-N
XLogP2.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine?
The IUPAC name of 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine (CID 90328648) is 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine.
What is the SMILES notation for 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine?
The canonical SMILES for 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine is CC(C)(C)c1cc2cnncc2[nH]1.
What is the InChIKey of 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine?
The InChIKey is NVEBCMVZQOBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-10(2,3)9-4-7-5-11-12-6-8(7)13-9/h4-6,13H,1-3H3.
What are the key properties of 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine?
2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine has a molecular weight of 175.23 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1H-pyrrolo[2,3-d]pyridazine is sourced from PubChem (CID 90328648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).