2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine

C13H23N5O3 — CID 67423076

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncncn1.NC(CO)(CO)CO
InChIInChI=1S/C9H12N4.C4H11NO3/c1-3-5-13(6-4-2)9-11-7-10-8-12-9;5-4(1-6,2-7)3-8/h3-4,7-8H,1-2,5-6H2;6-8H,1-3,5H2
InChIKeyDMNRKGQTURFAOZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP-1.29
Rot. Bonds8

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine

2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 67423076) has the molecular formula C13H23N5O3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID67423076
Molecular FormulaC13H23N5O3
Molecular Weight297.36 g/mol
Exact Mass297.18
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncncn1.NC(CO)(CO)CO
InChIInChI=1S/C9H12N4.C4H11NO3/c1-3-5-13(6-4-2)9-11-7-10-8-12-9;5-4(1-6,2-7)3-8/h3-4,7-8H,1-2,5-6H2;6-8H,1-3,5H2
InChIKeyDMNRKGQTURFAOZ-UHFFFAOYSA-N
XLogP-1.29
TPSA128.62 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (CID 67423076) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is C=CCN(CC=C)c1ncncn1.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is DMNRKGQTURFAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4.C4H11NO3/c1-3-5-13(6-4-2)9-11-7-10-8-12-9;5-4(1-6,2-7)3-8/h3-4,7-8H,1-2,5-6H2;6-8H,1-3,5H2.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 297.36 g/mol, XLogP of -1.29, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 67423076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).