[(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol

C9H14N4O — CID 142588322

IUPAC[(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol
SMILESOC[C@@H]1CC[C@H](Nc2ncncn2)C1
InChIInChI=1S/C9H14N4O/c14-4-7-1-2-8(3-7)13-9-11-5-10-6-12-9/h5-8,14H,1-4H2,(H,10,11,12,13)/t7-,8+/m1/s1
InChIKeyXMLBDLHJABAOFW-SFYZADRCSA-N
MW194.24 g/mol
LogP0.44
Rot. Bonds3

About [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol

[(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol (PubChem CID 142588322) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol
PubChem CID142588322
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol
SMILESOC[C@@H]1CC[C@H](Nc2ncncn2)C1
InChIInChI=1S/C9H14N4O/c14-4-7-1-2-8(3-7)13-9-11-5-10-6-12-9/h5-8,14H,1-4H2,(H,10,11,12,13)/t7-,8+/m1/s1
InChIKeyXMLBDLHJABAOFW-SFYZADRCSA-N
XLogP0.44
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol (CID 142588322) is [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol is OC[C@@H]1CC[C@H](Nc2ncncn2)C1.
What is the InChIKey of [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol?
The InChIKey is XMLBDLHJABAOFW-SFYZADRCSA-N. The full InChI is InChI=1S/C9H14N4O/c14-4-7-1-2-8(3-7)13-9-11-5-10-6-12-9/h5-8,14H,1-4H2,(H,10,11,12,13)/t7-,8+/m1/s1.
What are the key properties of [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol?
[(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol has a molecular weight of 194.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(1,3,5-triazin-2-ylamino)cyclopentyl]methanol is sourced from PubChem (CID 142588322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).