1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol

C9H14N4O2 — CID 150004194

IUPAC1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESOCC1(O)CCC(Nc2ncncn2)C1
InChIInChI=1S/C9H14N4O2/c14-4-9(15)2-1-7(3-9)13-8-11-5-10-6-12-8/h5-7,14-15H,1-4H2,(H,10,11,12,13)
InChIKeyDBXYPBUMQHVSPQ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.44
Rot. Bonds3

About 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol

1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (PubChem CID 150004194) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
PubChem CID150004194
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol
SMILESOCC1(O)CCC(Nc2ncncn2)C1
InChIInChI=1S/C9H14N4O2/c14-4-9(15)2-1-7(3-9)13-8-11-5-10-6-12-8/h5-7,14-15H,1-4H2,(H,10,11,12,13)
InChIKeyDBXYPBUMQHVSPQ-UHFFFAOYSA-N
XLogP-0.44
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The IUPAC name of 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol (CID 150004194) is 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is OCC1(O)CCC(Nc2ncncn2)C1.
What is the InChIKey of 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
The InChIKey is DBXYPBUMQHVSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-4-9(15)2-1-7(3-9)13-8-11-5-10-6-12-8/h5-7,14-15H,1-4H2,(H,10,11,12,13).
What are the key properties of 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol?
1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol has a molecular weight of 210.24 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-3-(1,3,5-triazin-2-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 150004194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).