(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol

C10H16N4O — CID 158687457

IUPAC(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Nc2ncncn2)C[C@@H]1O
InChIInChI=1S/C10H16N4O/c1-2-7-3-8(4-9(7)15)14-10-12-5-11-6-13-10/h5-9,15H,2-4H2,1H3,(H,11,12,13,14)/t7-,8+,9-/m0/s1
InChIKeyNNLQUKDIOOSHSD-YIZRAAEISA-N
MW208.26 g/mol
LogP0.83
Rot. Bonds3

About (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol

(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (PubChem CID 158687457) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
PubChem CID158687457
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESCC[C@H]1C[C@@H](Nc2ncncn2)C[C@@H]1O
InChIInChI=1S/C10H16N4O/c1-2-7-3-8(4-9(7)15)14-10-12-5-11-6-13-10/h5-9,15H,2-4H2,1H3,(H,11,12,13,14)/t7-,8+,9-/m0/s1
InChIKeyNNLQUKDIOOSHSD-YIZRAAEISA-N
XLogP0.83
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (CID 158687457) is (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is CC[C@H]1C[C@@H](Nc2ncncn2)C[C@@H]1O.
What is the InChIKey of (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The InChIKey is NNLQUKDIOOSHSD-YIZRAAEISA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-7-3-8(4-9(7)15)14-10-12-5-11-6-13-10/h5-9,15H,2-4H2,1H3,(H,11,12,13,14)/t7-,8+,9-/m0/s1.
What are the key properties of (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
(1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol has a molecular weight of 208.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-ethyl-4-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 158687457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).