[7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol

C15H20N4O4 — CID 71134520

IUPAC[7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
SMILESCC1(C)O[C@@H]2CO[C@@H](c3cc(CO)c4c(N)ncnn34)[C@]2(C)O1
InChIInChI=1S/C15H20N4O4/c1-14(2)22-10-6-21-12(15(10,3)23-14)9-4-8(5-20)11-13(16)17-7-18-19(9)11/h4,7,10,12,20H,5-6H2,1-3H3,(H2,16,17,18)/t10-,12+,15-/m1/s1
InChIKeyBPUZGZMBWSKPLP-IFUGULHKSA-N
MW320.35 g/mol
LogP0.79
Rot. Bonds2

About [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol

[7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol (PubChem CID 71134520) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol.

Molecular Properties

Compound Name[7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
PubChem CID71134520
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name[7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol
SMILESCC1(C)O[C@@H]2CO[C@@H](c3cc(CO)c4c(N)ncnn34)[C@]2(C)O1
InChIInChI=1S/C15H20N4O4/c1-14(2)22-10-6-21-12(15(10,3)23-14)9-4-8(5-20)11-13(16)17-7-18-19(9)11/h4,7,10,12,20H,5-6H2,1-3H3,(H2,16,17,18)/t10-,12+,15-/m1/s1
InChIKeyBPUZGZMBWSKPLP-IFUGULHKSA-N
XLogP0.79
TPSA104.13 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The IUPAC name of [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol (CID 71134520) is [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol.
What is the SMILES notation for [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The canonical SMILES for [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol is CC1(C)O[C@@H]2CO[C@@H](c3cc(CO)c4c(N)ncnn34)[C@]2(C)O1.
What is the InChIKey of [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
The InChIKey is BPUZGZMBWSKPLP-IFUGULHKSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-14(2)22-10-6-21-12(15(10,3)23-14)9-4-8(5-20)11-13(16)17-7-18-19(9)11/h4,7,10,12,20H,5-6H2,1-3H3,(H2,16,17,18)/t10-,12+,15-/m1/s1.
What are the key properties of [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol?
[7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol has a molecular weight of 320.35 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3aS,4S,6aR)-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl]methanol is sourced from PubChem (CID 71134520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).