4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide

C8H14N4O — CID 145044645

IUPAC4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide
SMILESCC(C)N1CC(N)=C(C(N)=O)C=N1
InChIInChI=1S/C8H14N4O/c1-5(2)12-4-7(9)6(3-11-12)8(10)13/h3,5H,4,9H2,1-2H3,(H2,10,13)
InChIKeyATSRCBGCUCTLCY-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.61
Rot. Bonds2

About 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide

4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide (PubChem CID 145044645) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide
PubChem CID145044645
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide
SMILESCC(C)N1CC(N)=C(C(N)=O)C=N1
InChIInChI=1S/C8H14N4O/c1-5(2)12-4-7(9)6(3-11-12)8(10)13/h3,5H,4,9H2,1-2H3,(H2,10,13)
InChIKeyATSRCBGCUCTLCY-UHFFFAOYSA-N
XLogP-0.61
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide?
The IUPAC name of 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide (CID 145044645) is 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide.
What is the SMILES notation for 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide?
The canonical SMILES for 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide is CC(C)N1CC(N)=C(C(N)=O)C=N1.
What is the InChIKey of 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide?
The InChIKey is ATSRCBGCUCTLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)12-4-7(9)6(3-11-12)8(10)13/h3,5H,4,9H2,1-2H3,(H2,10,13).
What are the key properties of 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide?
4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide has a molecular weight of 182.23 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-propan-2-yl-3H-pyridazine-5-carboxamide is sourced from PubChem (CID 145044645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).