N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine

C19H26N6 — CID 126917924

IUPACN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
SMILESCC(C)(C)c1ccc(N2CC(CNc3nccnc3C3CC3)C2)nn1
InChIInChI=1S/C19H26N6/c1-19(2,3)15-6-7-16(24-23-15)25-11-13(12-25)10-22-18-17(14-4-5-14)20-8-9-21-18/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,21,22)
InChIKeyBZPFVXMTWRPXBJ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.99
Rot. Bonds5

About N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine

N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine (PubChem CID 126917924) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine.

Molecular Properties

Compound NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
PubChem CID126917924
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine
SMILESCC(C)(C)c1ccc(N2CC(CNc3nccnc3C3CC3)C2)nn1
InChIInChI=1S/C19H26N6/c1-19(2,3)15-6-7-16(24-23-15)25-11-13(12-25)10-22-18-17(14-4-5-14)20-8-9-21-18/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,21,22)
InChIKeyBZPFVXMTWRPXBJ-UHFFFAOYSA-N
XLogP2.99
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine?
The IUPAC name of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine (CID 126917924) is N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine.
What is the SMILES notation for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine?
The canonical SMILES for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine is CC(C)(C)c1ccc(N2CC(CNc3nccnc3C3CC3)C2)nn1.
What is the InChIKey of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine?
The InChIKey is BZPFVXMTWRPXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-19(2,3)15-6-7-16(24-23-15)25-11-13(12-25)10-22-18-17(14-4-5-14)20-8-9-21-18/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,21,22).
What are the key properties of N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine?
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine has a molecular weight of 338.46 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-cyclopropylpyrazin-2-amine is sourced from PubChem (CID 126917924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).