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

C15H24N6O2 — CID 12666101

IUPAC2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol
SMILESCc1nc2ncnn2c2c1CCN2CCCN(CCO)CCO
InChIInChI=1S/C15H24N6O2/c1-12-13-3-6-20(5-2-4-19(7-9-22)8-10-23)14(13)21-15(18-12)16-11-17-21/h11,22-23H,2-10H2,1H3
InChIKeyQIWBIJQNZSSVMN-UHFFFAOYSA-N
MW320.40 g/mol
LogP-0.53
Rot. Bonds8

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

2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol (PubChem CID 12666101) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol
PubChem CID12666101
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol
SMILESCc1nc2ncnn2c2c1CCN2CCCN(CCO)CCO
InChIInChI=1S/C15H24N6O2/c1-12-13-3-6-20(5-2-4-19(7-9-22)8-10-23)14(13)21-15(18-12)16-11-17-21/h11,22-23H,2-10H2,1H3
InChIKeyQIWBIJQNZSSVMN-UHFFFAOYSA-N
XLogP-0.53
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol (CID 12666101) is 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol is Cc1nc2ncnn2c2c1CCN2CCCN(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol?
The InChIKey is QIWBIJQNZSSVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-12-13-3-6-20(5-2-4-19(7-9-22)8-10-23)14(13)21-15(18-12)16-11-17-21/h11,22-23H,2-10H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol?
2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol has a molecular weight of 320.40 g/mol, XLogP of -0.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol is sourced from PubChem (CID 12666101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).