2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol

C14H17N5O3 — CID 133323670

IUPAC2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCOCc1cc(NCC(C)(O)c2ccco2)n2ncnc2n1
InChIInChI=1S/C14H17N5O3/c1-14(20,11-4-3-5-22-11)8-15-12-6-10(7-21-2)18-13-16-9-17-19(12)13/h3-6,9,15,20H,7-8H2,1-2H3
InChIKeyXLLPHZJJOCPPQL-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.18
Rot. Bonds6

About 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol

2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (PubChem CID 133323670) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
PubChem CID133323670
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol
SMILESCOCc1cc(NCC(C)(O)c2ccco2)n2ncnc2n1
InChIInChI=1S/C14H17N5O3/c1-14(20,11-4-3-5-22-11)8-15-12-6-10(7-21-2)18-13-16-9-17-19(12)13/h3-6,9,15,20H,7-8H2,1-2H3
InChIKeyXLLPHZJJOCPPQL-UHFFFAOYSA-N
XLogP1.18
TPSA97.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(methoxymethyl)-N-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 130626781
N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
1-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-2-(5-methylfuran-2-yl)propan-2-ol
CID 133353221
1-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133271945
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 145221185
5-(methoxymethyl)-N-[[(1S,2R)-2-phenylcyclopropyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 99104311
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone
CID 133273186
5-(methoxymethyl)-N-(3-methyl-3-phenylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133349979
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477232
5-(methoxymethyl)-N-[(1-methylcyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293719
2-[[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]methyl]cyclopentan-1-ol
CID 133324043
(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
CID 95326962

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The IUPAC name of 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol (CID 133323670) is 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol.
What is the SMILES notation for 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The canonical SMILES for 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is COCc1cc(NCC(C)(O)c2ccco2)n2ncnc2n1.
What is the InChIKey of 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
The InChIKey is XLLPHZJJOCPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-14(20,11-4-3-5-22-11)8-15-12-6-10(7-21-2)18-13-16-9-17-19(12)13/h3-6,9,15,20H,7-8H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol?
2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol has a molecular weight of 303.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-2-ol is sourced from PubChem (CID 133323670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).