N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide

C5H11N5O3 — CID 135498140

IUPACN-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide
SMILESO=[N+]([O-])N=C1NCN(CCO)CN1
InChIInChI=1S/C5H11N5O3/c11-2-1-9-3-6-5(7-4-9)8-10(12)13/h11H,1-4H2,(H2,6,7,8)
InChIKeyJNWOHVFXLUDLOU-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.06
Rot. Bonds3

About N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide

N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide (PubChem CID 135498140) has the molecular formula C5H11N5O3 and a molecular weight of 189.17 g/mol. Its IUPAC name is N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide.

Molecular Properties

Compound NameN-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide
PubChem CID135498140
Molecular FormulaC5H11N5O3
Molecular Weight189.17 g/mol
Exact Mass189.09
IUPAC NameN-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide
SMILESO=[N+]([O-])N=C1NCN(CCO)CN1
InChIInChI=1S/C5H11N5O3/c11-2-1-9-3-6-5(7-4-9)8-10(12)13/h11H,1-4H2,(H2,6,7,8)
InChIKeyJNWOHVFXLUDLOU-UHFFFAOYSA-N
XLogP-2.06
TPSA103.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-methylsulfanyl-2,4-dihydro-1H-1,3,5-triazin-3-yl)ethanol
CID 2777342
2-(4-nitropiperazin-1-yl)ethanol
CID 45099637
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-nitrophenyl)ethanone
CID 43390899
(NZ)-N-(1,5-dibenzyl-1,3,5-triazinan-2-ylidene)nitramide
CID 135411319
(NE)-N-(1,3-thiazolidin-2-ylidene)nitramide
CID 135798723
2-(2-hydroxyethyl)-4-nitro-1H-pyrazol-3-one
CID 83816429
N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
CID 152748473
(2Z)-N,N-dimethyl-2-nitroiminoimidazolidine-1-carboxamide
CID 135804934
N-(1-but-3-ynylimidazolidin-2-ylidene)nitramide
CID 139622045
2-[4-(2-nitrophenyl)piperazin-1-yl]ethanol;hydrochloride
CID 17384295
(NZ)-N-(1-butanoylimidazolidin-2-ylidene)nitramide
CID 135804938
4-(2-hydroxyethyl)-1,4-diazepan-2-one
CID 14574145

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide?
The IUPAC name of N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide (CID 135498140) is N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide.
What is the SMILES notation for N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide?
The canonical SMILES for N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide is O=[N+]([O-])N=C1NCN(CCO)CN1.
What is the InChIKey of N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide?
The InChIKey is JNWOHVFXLUDLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5O3/c11-2-1-9-3-6-5(7-4-9)8-10(12)13/h11H,1-4H2,(H2,6,7,8).
What are the key properties of N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide?
N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide has a molecular weight of 189.17 g/mol, XLogP of -2.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-hydroxyethyl)-1,3,5-triazinan-2-ylidene]nitramide is sourced from PubChem (CID 135498140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).