N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine

C9H12N4 — CID 22987609

IUPACN,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncncn1
InChIInChI=1S/C9H12N4/c1-3-5-13(6-4-2)9-11-7-10-8-12-9/h3-4,7-8H,1-2,5-6H2
InChIKeyQEKYRELZYJROLR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.05
Rot. Bonds5

About N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine

N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 22987609) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID22987609
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncncn1
InChIInChI=1S/C9H12N4/c1-3-5-13(6-4-2)9-11-7-10-8-12-9/h3-4,7-8H,1-2,5-6H2
InChIKeyQEKYRELZYJROLR-UHFFFAOYSA-N
XLogP1.05
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (CID 22987609) is N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is C=CCN(CC=C)c1ncncn1.
What is the InChIKey of N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is QEKYRELZYJROLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-3-5-13(6-4-2)9-11-7-10-8-12-9/h3-4,7-8H,1-2,5-6H2.
What are the key properties of N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 176.22 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 22987609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).