(3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol

C10H9N5O — CID 5271109

IUPAC(3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol
SMILESNc1nnc2c(n1)[nH]c1ccc(CO)cc12
InChIInChI=1S/C10H9N5O/c11-10-13-9-8(14-15-10)6-3-5(4-16)1-2-7(6)12-9/h1-3,16H,4H2,(H3,11,12,13,15)
InChIKeyWQDXFPFMTLPYBQ-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.58
Rot. Bonds1

About (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol

(3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol (PubChem CID 5271109) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol.

Molecular Properties

Compound Name(3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol
PubChem CID5271109
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name(3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol
SMILESNc1nnc2c(n1)[nH]c1ccc(CO)cc12
InChIInChI=1S/C10H9N5O/c11-10-13-9-8(14-15-10)6-3-5(4-16)1-2-7(6)12-9/h1-3,16H,4H2,(H3,11,12,13,15)
InChIKeyWQDXFPFMTLPYBQ-UHFFFAOYSA-N
XLogP0.58
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol?
The IUPAC name of (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol (CID 5271109) is (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol.
What is the SMILES notation for (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol?
The canonical SMILES for (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol is Nc1nnc2c(n1)[nH]c1ccc(CO)cc12.
What is the InChIKey of (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol?
The InChIKey is WQDXFPFMTLPYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-10-13-9-8(14-15-10)6-3-5(4-16)1-2-7(6)12-9/h1-3,16H,4H2,(H3,11,12,13,15).
What are the key properties of (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol?
(3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol has a molecular weight of 215.22 g/mol, XLogP of 0.58, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5H-[1,2,4]triazino[5,6-b]indol-8-yl)methanol is sourced from PubChem (CID 5271109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).