1-(2-azidobutyl)furo[2,3-g]indazole

C13H13N5O — CID 21196684

IUPAC1-(2-azidobutyl)furo[2,3-g]indazole
SMILESCCC(Cn1ncc2ccc3occc3c21)N=[N+]=[N-]
InChIInChI=1S/C13H13N5O/c1-2-10(16-17-14)8-18-13-9(7-15-18)3-4-12-11(13)5-6-19-12/h3-7,10H,2,8H2,1H3
InChIKeyPAPQJZALEDPHQI-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.87
Rot. Bonds4

About 1-(2-azidobutyl)furo[2,3-g]indazole

1-(2-azidobutyl)furo[2,3-g]indazole (PubChem CID 21196684) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 1-(2-azidobutyl)furo[2,3-g]indazole.

Molecular Properties

Compound Name1-(2-azidobutyl)furo[2,3-g]indazole
PubChem CID21196684
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name1-(2-azidobutyl)furo[2,3-g]indazole
SMILESCCC(Cn1ncc2ccc3occc3c21)N=[N+]=[N-]
InChIInChI=1S/C13H13N5O/c1-2-10(16-17-14)8-18-13-9(7-15-18)3-4-12-11(13)5-6-19-12/h3-7,10H,2,8H2,1H3
InChIKeyPAPQJZALEDPHQI-UHFFFAOYSA-N
XLogP3.87
TPSA79.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-(2-azido-3,3,3-trifluoropropyl)furo[2,3-g]indazole
CID 21196638
1-(pyrrolidin-2-ylmethyl)furo[2,3-g]indazole
CID 21196558
1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-ol
CID 22496571
1-(8-methoxybenzo[g]indazol-1-yl)propan-2-amine
CID 3045224
1-[(2S)-2-aminopropyl]pyrano[2,3-g]indazol-7-one;2,2,2-trifluoroacetic acid
CID 87966716
2-[1-(2-aminopropyl)furo[2,3-g]indazol-7-yl]-N-methylacetamide
CID 68854773
ethyl 1-(2-azidopropyl)indazole-6-carboxylate
CID 86760620
4-azidofuro[3,2-c]pyridine
CID 106535822
tert-butyl 2-[[1-(2-azidopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-yl]oxy]acetate
CID 91594343
1-(2-aminopropyl)-8,9-dihydro-7H-pyrano[2,3-g]indazol-8-amine
CID 22496570
(E)-but-2-enedioic acid;2-furo[2,3-g]indazol-1-ylcyclohexan-1-amine
CID 21196547
(E)-but-2-enedioic acid;(2S)-1-[7-(3-methyl-1,2,4-oxadiazol-5-yl)furo[2,3-g]indazol-1-yl]propan-2-amine
CID 68854207

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidobutyl)furo[2,3-g]indazole?
The IUPAC name of 1-(2-azidobutyl)furo[2,3-g]indazole (CID 21196684) is 1-(2-azidobutyl)furo[2,3-g]indazole.
What is the SMILES notation for 1-(2-azidobutyl)furo[2,3-g]indazole?
The canonical SMILES for 1-(2-azidobutyl)furo[2,3-g]indazole is CCC(Cn1ncc2ccc3occc3c21)N=[N+]=[N-].
What is the InChIKey of 1-(2-azidobutyl)furo[2,3-g]indazole?
The InChIKey is PAPQJZALEDPHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-10(16-17-14)8-18-13-9(7-15-18)3-4-12-11(13)5-6-19-12/h3-7,10H,2,8H2,1H3.
What are the key properties of 1-(2-azidobutyl)furo[2,3-g]indazole?
1-(2-azidobutyl)furo[2,3-g]indazole has a molecular weight of 255.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidobutyl)furo[2,3-g]indazole is sourced from PubChem (CID 21196684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).