(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol

C12H14N6O2 — CID 31659755

IUPAC(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol
SMILESOCC(CNc1ccc2nnnn2n1)Cc1ccco1
InChIInChI=1S/C12H14N6O2/c19-8-9(6-10-2-1-5-20-10)7-13-11-3-4-12-14-16-17-18(12)15-11/h1-5,9,19H,6-8H2,(H,13,15)
InChIKeyKOBBTFGPAYWMBL-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.38
Rot. Bonds6

About (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol

(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol (PubChem CID 31659755) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol
PubChem CID31659755
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol
SMILESOCC(CNc1ccc2nnnn2n1)Cc1ccco1
InChIInChI=1S/C12H14N6O2/c19-8-9(6-10-2-1-5-20-10)7-13-11-3-4-12-14-16-17-18(12)15-11/h1-5,9,19H,6-8H2,(H,13,15)
InChIKeyKOBBTFGPAYWMBL-UHFFFAOYSA-N
XLogP0.38
TPSA101.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol with MolForge

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Related Compounds

(1S)-1-cyclohexyl-N,N-dimethyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 94063941
N-(2-methyl-3-methylsulfanylpropyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 78957763
(1R)-N,N-dimethyl-1-phenyl-N'-(tetrazolo[1,5-b]pyridazin-6-yl)ethane-1,2-diamine
CID 40843444
1-(4-chlorophenyl)-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanol
CID 42947574
2-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-5,6-dimethylpyridine-3-carboxamide
CID 135089644
(2S)-2-N,2-N-diethyl-4-methyl-1-N-(tetrazolo[1,5-b]pyridazin-6-yl)pentane-1,2-diamine
CID 25469022
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cycloheptan-1-ol
CID 78993011
1-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]cyclohexan-1-ol
CID 78990679
1-piperidin-1-yl-2-(tetrazolo[1,5-b]pyridazin-6-ylamino)ethanone
CID 47280701
4-[[(2R)-2-(furan-2-ylmethyl)-3-hydroxypropyl]amino]-3-nitrobenzamide
CID 25469998
N-(furan-2-ylmethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 24623838
N-[(1-methylcyclopropyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 103725068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol?
The IUPAC name of (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol (CID 31659755) is (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol.
What is the SMILES notation for (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol?
The canonical SMILES for (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol is OCC(CNc1ccc2nnnn2n1)Cc1ccco1.
What is the InChIKey of (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol?
The InChIKey is KOBBTFGPAYWMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-8-9(6-10-2-1-5-20-10)7-13-11-3-4-12-14-16-17-18(12)15-11/h1-5,9,19H,6-8H2,(H,13,15).
What are the key properties of (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol?
(2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol has a molecular weight of 274.28 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-ylmethyl)-3-(tetrazolo[1,5-b]pyridazin-6-ylamino)propan-1-ol is sourced from PubChem (CID 31659755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).