[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide

C9H15N5O — CID 6496898

IUPAC[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
SMILESN#CNC1=NCN(CC2CCCO2)CN1
InChIInChI=1S/C9H15N5O/c10-5-11-9-12-6-14(7-13-9)4-8-2-1-3-15-8/h8H,1-4,6-7H2,(H2,11,12,13)
InChIKeyFUJNLSJSEZLRPK-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.59
Rot. Bonds2

About [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide

[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide (PubChem CID 6496898) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide.

Molecular Properties

Compound Name[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
PubChem CID6496898
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide
SMILESN#CNC1=NCN(CC2CCCO2)CN1
InChIInChI=1S/C9H15N5O/c10-5-11-9-12-6-14(7-13-9)4-8-2-1-3-15-8/h8H,1-4,6-7H2,(H2,11,12,13)
InChIKeyFUJNLSJSEZLRPK-UHFFFAOYSA-N
XLogP-0.59
TPSA72.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 7339712
6-[(4-nitrophenyl)methylsulfanyl]-3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazine
CID 134117879
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
1-(oxolan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003235
1-(2-chloroethyl)-4-(oxolan-2-ylmethyl)-1,4-diazepane
CID 63387476
1-(oxolan-2-ylmethyl)azetidin-3-amine
CID 63760708
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
N-methyl-1-[3-methyl-1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318686
4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
CID 112734106

Frequently Asked Questions

What is the IUPAC name of [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The IUPAC name of [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide (CID 6496898) is [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide.
What is the SMILES notation for [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The canonical SMILES for [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide is N#CNC1=NCN(CC2CCCO2)CN1.
What is the InChIKey of [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
The InChIKey is FUJNLSJSEZLRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c10-5-11-9-12-6-14(7-13-9)4-8-2-1-3-15-8/h8H,1-4,6-7H2,(H2,11,12,13).
What are the key properties of [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide?
[3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide has a molecular weight of 209.25 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(oxolan-2-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]cyanamide is sourced from PubChem (CID 6496898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).