methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate

C16H21N7O2 — CID 24890789

IUPACmethyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
SMILESCC[C@@H]1c2nncn2-c2cnc(NC(=O)OC)nc2N1C1CCCC1
InChIInChI=1S/C16H21N7O2/c1-3-11-14-21-18-9-22(14)12-8-17-15(20-16(24)25-2)19-13(12)23(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3,(H,17,19,20,24)/t11-/m1/s1
InChIKeyHYERBKREGJYKFG-LLVKDONJSA-N
MW343.39 g/mol
LogP2.45
Rot. Bonds3

About methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate

methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate (PubChem CID 24890789) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
PubChem CID24890789
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Namemethyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate
SMILESCC[C@@H]1c2nncn2-c2cnc(NC(=O)OC)nc2N1C1CCCC1
InChIInChI=1S/C16H21N7O2/c1-3-11-14-21-18-9-22(14)12-8-17-15(20-16(24)25-2)19-13(12)23(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3,(H,17,19,20,24)/t11-/m1/s1
InChIKeyHYERBKREGJYKFG-LLVKDONJSA-N
XLogP2.45
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate?
The IUPAC name of methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate (CID 24890789) is methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate.
What is the SMILES notation for methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate?
The canonical SMILES for methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate is CC[C@@H]1c2nncn2-c2cnc(NC(=O)OC)nc2N1C1CCCC1.
What is the InChIKey of methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate?
The InChIKey is HYERBKREGJYKFG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-3-11-14-21-18-9-22(14)12-8-17-15(20-16(24)25-2)19-13(12)23(11)10-6-4-5-7-10/h8-11H,3-7H2,1-2H3,(H,17,19,20,24)/t11-/m1/s1.
What are the key properties of methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate?
methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate has a molecular weight of 343.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]carbamate is sourced from PubChem (CID 24890789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).