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

C9H11ClN4 — CID 19739695

IUPAC4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncnc(Cl)n1
InChIInChI=1S/C9H11ClN4/c1-3-5-14(6-4-2)9-12-7-11-8(10)13-9/h3-4,7H,1-2,5-6H2
InChIKeyMIKSZIDZCLDKML-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.70
Rot. Bonds5

About 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine

4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (PubChem CID 19739695) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
PubChem CID19739695
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine
SMILESC=CCN(CC=C)c1ncnc(Cl)n1
InChIInChI=1S/C9H11ClN4/c1-3-5-14(6-4-2)9-12-7-11-8(10)13-9/h3-4,7H,1-2,5-6H2
InChIKeyMIKSZIDZCLDKML-UHFFFAOYSA-N
XLogP1.70
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.70
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 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine (CID 19739695) is 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is C=CCN(CC=C)c1ncnc(Cl)n1.
What is the InChIKey of 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
The InChIKey is MIKSZIDZCLDKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-3-5-14(6-4-2)9-12-7-11-8(10)13-9/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine?
4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine has a molecular weight of 210.67 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-bis(prop-2-enyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19739695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).