2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol

C10H13N5O — CID 12671256

IUPAC2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol
SMILESCc1nc2ncnn2c2c1CCN2CCO
InChIInChI=1S/C10H13N5O/c1-7-8-2-3-14(4-5-16)9(8)15-10(13-7)11-6-12-15/h6,16H,2-5H2,1H3
InChIKeyRSEZIDNJENCFLG-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.21
Rot. Bonds2

About 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol

2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol (PubChem CID 12671256) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol.

Molecular Properties

Compound Name2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol
PubChem CID12671256
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol
SMILESCc1nc2ncnn2c2c1CCN2CCO
InChIInChI=1S/C10H13N5O/c1-7-8-2-3-14(4-5-16)9(8)15-10(13-7)11-6-12-15/h6,16H,2-5H2,1H3
InChIKeyRSEZIDNJENCFLG-UHFFFAOYSA-N
XLogP-0.21
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol?
The IUPAC name of 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol (CID 12671256) is 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol.
What is the SMILES notation for 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol?
The canonical SMILES for 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol is Cc1nc2ncnn2c2c1CCN2CCO.
What is the InChIKey of 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol?
The InChIKey is RSEZIDNJENCFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-8-2-3-14(4-5-16)9(8)15-10(13-7)11-6-12-15/h6,16H,2-5H2,1H3.
What are the key properties of 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol?
2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol has a molecular weight of 219.25 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol is sourced from PubChem (CID 12671256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).