2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol

C9H13N5O2 — CID 67958765

IUPAC2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1coc(Cn2ncc(N)n2)n1
InChIInChI=1S/C9H13N5O2/c1-9(2,15)6-5-16-8(12-6)4-14-11-3-7(10)13-14/h3,5,15H,4H2,1-2H3,(H2,10,13)
InChIKeyNWLKACNJRHBFSP-UHFFFAOYSA-N
MW223.24 g/mol
LogP0.12
Rot. Bonds3

About 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol

2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol (PubChem CID 67958765) has the molecular formula C9H13N5O2 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol
PubChem CID67958765
Molecular FormulaC9H13N5O2
Molecular Weight223.24 g/mol
Exact Mass223.11
IUPAC Name2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1coc(Cn2ncc(N)n2)n1
InChIInChI=1S/C9H13N5O2/c1-9(2,15)6-5-16-8(12-6)4-14-11-3-7(10)13-14/h3,5,15H,4H2,1-2H3,(H2,10,13)
InChIKeyNWLKACNJRHBFSP-UHFFFAOYSA-N
XLogP0.12
TPSA102.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol?
The IUPAC name of 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol (CID 67958765) is 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol is CC(C)(O)c1coc(Cn2ncc(N)n2)n1.
What is the InChIKey of 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol?
The InChIKey is NWLKACNJRHBFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O2/c1-9(2,15)6-5-16-8(12-6)4-14-11-3-7(10)13-14/h3,5,15H,4H2,1-2H3,(H2,10,13).
What are the key properties of 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol?
2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol has a molecular weight of 223.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-aminotriazol-2-yl)methyl]-1,3-oxazol-4-yl]propan-2-ol is sourced from PubChem (CID 67958765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).