[5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol

C13H18N4O3 — CID 167837073

IUPAC[5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC[C@H]2CC[C@@H](c3ncn[nH]3)O2)o1
InChIInChI=1S/C13H18N4O3/c18-7-11-2-1-9(19-11)5-14-6-10-3-4-12(20-10)13-15-8-16-17-13/h1-2,8,10,12,14,18H,3-7H2,(H,15,16,17)/t10-,12+/m1/s1
InChIKeyULZXRFGYCHCXTR-PWSUYJOCSA-N
MW278.31 g/mol
LogP0.90
Rot. Bonds6

About [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol

[5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol (PubChem CID 167837073) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol
PubChem CID167837073
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name[5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNC[C@H]2CC[C@@H](c3ncn[nH]3)O2)o1
InChIInChI=1S/C13H18N4O3/c18-7-11-2-1-9(19-11)5-14-6-10-3-4-12(20-10)13-15-8-16-17-13/h1-2,8,10,12,14,18H,3-7H2,(H,15,16,17)/t10-,12+/m1/s1
InChIKeyULZXRFGYCHCXTR-PWSUYJOCSA-N
XLogP0.90
TPSA96.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol (CID 167837073) is [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol is OCc1ccc(CNC[C@H]2CC[C@@H](c3ncn[nH]3)O2)o1.
What is the InChIKey of [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol?
The InChIKey is ULZXRFGYCHCXTR-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H18N4O3/c18-7-11-2-1-9(19-11)5-14-6-10-3-4-12(20-10)13-15-8-16-17-13/h1-2,8,10,12,14,18H,3-7H2,(H,15,16,17)/t10-,12+/m1/s1.
What are the key properties of [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol?
[5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol has a molecular weight of 278.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2R,5S)-5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 167837073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).