N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

C18H27N5O — CID 146077954

IUPACN-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2CN(c3ccc(C4CC4)nn3)CC2C1
InChIInChI=1S/C18H27N5O/c1-18(2,3)19-17(24)23-10-13-8-22(9-14(13)11-23)16-7-6-15(20-21-16)12-4-5-12/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,24)
InChIKeyYNUDHDVDZHUUMC-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.23
Rot. Bonds2

About N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide

N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (PubChem CID 146077954) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
PubChem CID146077954
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1CC2CN(c3ccc(C4CC4)nn3)CC2C1
InChIInChI=1S/C18H27N5O/c1-18(2,3)19-17(24)23-10-13-8-22(9-14(13)11-23)16-7-6-15(20-21-16)12-4-5-12/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,24)
InChIKeyYNUDHDVDZHUUMC-UHFFFAOYSA-N
XLogP2.23
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The IUPAC name of N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide (CID 146077954) is N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The canonical SMILES for N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is CC(C)(C)NC(=O)N1CC2CN(c3ccc(C4CC4)nn3)CC2C1.
What is the InChIKey of N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
The InChIKey is YNUDHDVDZHUUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-18(2,3)19-17(24)23-10-13-8-22(9-14(13)11-23)16-7-6-15(20-21-16)12-4-5-12/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,19,24).
What are the key properties of N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide?
N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-cyclopropylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide is sourced from PubChem (CID 146077954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).