6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine

C9H11ClN4 — CID 19752277

IUPAC6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine
SMILESC=CCN(CC=C)c1cc(Cl)nnn1
InChIInChI=1S/C9H11ClN4/c1-3-5-14(6-4-2)9-7-8(10)11-13-12-9/h3-4,7H,1-2,5-6H2
InChIKeyFXEVXYLLSJIWNL-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.70
Rot. Bonds5

About 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine

6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine (PubChem CID 19752277) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine
PubChem CID19752277
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine
SMILESC=CCN(CC=C)c1cc(Cl)nnn1
InChIInChI=1S/C9H11ClN4/c1-3-5-14(6-4-2)9-7-8(10)11-13-12-9/h3-4,7H,1-2,5-6H2
InChIKeyFXEVXYLLSJIWNL-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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Related Compounds

5,6-dichloro-N,N-bis(prop-2-enyl)triazin-4-amine
CID 20267251
6-chloro-N-ethyltriazin-4-amine
CID 21572071
6-chloro-N,N-dimethyltriazin-4-amine
CID 73656472
4-N,4-N,6-N,6-N-tetraethyltriazine-4,6-diamine
CID 175749741

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine?
The IUPAC name of 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine (CID 19752277) is 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine.
What is the SMILES notation for 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine?
The canonical SMILES for 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine is C=CCN(CC=C)c1cc(Cl)nnn1.
What is the InChIKey of 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine?
The InChIKey is FXEVXYLLSJIWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-3-5-14(6-4-2)9-7-8(10)11-13-12-9/h3-4,7H,1-2,5-6H2.
What are the key properties of 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine?
6-chloro-N,N-bis(prop-2-enyl)triazin-4-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 6-chloro-N,N-bis(prop-2-enyl)triazin-4-amine is sourced from PubChem (CID 19752277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).