2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine

C13H20N6 — CID 146321122

IUPAC2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine
SMILESC=C/C=C(\C=C/C)CN(CC)c1nc(N)nc(N)n1
InChIInChI=1S/C13H20N6/c1-4-7-10(8-5-2)9-19(6-3)13-17-11(14)16-12(15)18-13/h4-5,7-8H,1,6,9H2,2-3H3,(H4,14,15,16,17,18)/b8-5-,10-7+
InChIKeyBMKQFMIADHHJDY-OEPUHGBTSA-N
MW260.35 g/mol
LogP1.55
Rot. Bonds6

About 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine

2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 146321122) has the molecular formula C13H20N6 and a molecular weight of 260.35 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID146321122
Molecular FormulaC13H20N6
Molecular Weight260.35 g/mol
Exact Mass260.17
IUPAC Name2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine
SMILESC=C/C=C(\C=C/C)CN(CC)c1nc(N)nc(N)n1
InChIInChI=1S/C13H20N6/c1-4-7-10(8-5-2)9-19(6-3)13-17-11(14)16-12(15)18-13/h4-5,7-8H,1,6,9H2,2-3H3,(H4,14,15,16,17,18)/b8-5-,10-7+
InChIKeyBMKQFMIADHHJDY-OEPUHGBTSA-N
XLogP1.55
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine (CID 146321122) is 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine is C=C/C=C(\C=C/C)CN(CC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BMKQFMIADHHJDY-OEPUHGBTSA-N. The full InChI is InChI=1S/C13H20N6/c1-4-7-10(8-5-2)9-19(6-3)13-17-11(14)16-12(15)18-13/h4-5,7-8H,1,6,9H2,2-3H3,(H4,14,15,16,17,18)/b8-5-,10-7+.
What are the key properties of 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine?
2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 260.35 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 146321122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).