5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine

C14H23N5 — CID 76709105

IUPAC5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine
SMILESCCCCNc1cc(N2CC3CCNC3C2)cnn1
InChIInChI=1S/C14H23N5/c1-2-3-5-16-14-7-12(8-17-18-14)19-9-11-4-6-15-13(11)10-19/h7-8,11,13,15H,2-6,9-10H2,1H3,(H,16,18)
InChIKeyRUMVONQLNFJNCH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.49
Rot. Bonds5

About 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine

5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine (PubChem CID 76709105) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine.

Molecular Properties

Compound Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine
PubChem CID76709105
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine
SMILESCCCCNc1cc(N2CC3CCNC3C2)cnn1
InChIInChI=1S/C14H23N5/c1-2-3-5-16-14-7-12(8-17-18-14)19-9-11-4-6-15-13(11)10-19/h7-8,11,13,15H,2-6,9-10H2,1H3,(H,16,18)
InChIKeyRUMVONQLNFJNCH-UHFFFAOYSA-N
XLogP1.49
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine?
The IUPAC name of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine (CID 76709105) is 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine.
What is the SMILES notation for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine?
The canonical SMILES for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine is CCCCNc1cc(N2CC3CCNC3C2)cnn1.
What is the InChIKey of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine?
The InChIKey is RUMVONQLNFJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-2-3-5-16-14-7-12(8-17-18-14)19-9-11-4-6-15-13(11)10-19/h7-8,11,13,15H,2-6,9-10H2,1H3,(H,16,18).
What are the key properties of 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine?
5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine has a molecular weight of 261.37 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl)-N-butylpyridazin-3-amine is sourced from PubChem (CID 76709105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).