5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol

C16H16ClN5O2 — CID 175599251

IUPAC5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(NC2CCCOC2)n2cncc12
InChIInChI=1S/C16H16ClN5O2/c17-10-3-4-12(14(23)6-10)15-13-7-18-9-22(13)16(21-20-15)19-11-2-1-5-24-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H,19,21)
InChIKeyRKBXKRNXFOJDCR-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol

5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol (PubChem CID 175599251) has the molecular formula C16H16ClN5O2 and a molecular weight of 345.79 g/mol. Its IUPAC name is 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol.

Molecular Properties

Compound Name5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol
PubChem CID175599251
Molecular FormulaC16H16ClN5O2
Molecular Weight345.79 g/mol
Exact Mass345.10
IUPAC Name5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol
SMILESOc1cc(Cl)ccc1-c1nnc(NC2CCCOC2)n2cncc12
InChIInChI=1S/C16H16ClN5O2/c17-10-3-4-12(14(23)6-10)15-13-7-18-9-22(13)16(21-20-15)19-11-2-1-5-24-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H,19,21)
InChIKeyRKBXKRNXFOJDCR-UHFFFAOYSA-N
XLogP2.74
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol?
The IUPAC name of 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol (CID 175599251) is 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol.
What is the SMILES notation for 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol?
The canonical SMILES for 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol is Oc1cc(Cl)ccc1-c1nnc(NC2CCCOC2)n2cncc12.
What is the InChIKey of 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol?
The InChIKey is RKBXKRNXFOJDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O2/c17-10-3-4-12(14(23)6-10)15-13-7-18-9-22(13)16(21-20-15)19-11-2-1-5-24-8-11/h3-4,6-7,9,11,23H,1-2,5,8H2,(H,19,21).
What are the key properties of 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol?
5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol has a molecular weight of 345.79 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(oxan-3-ylamino)imidazo[1,5-d][1,2,4]triazin-1-yl]phenol is sourced from PubChem (CID 175599251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).