2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine

C17H20Cl2N4 — CID 23634977

IUPAC2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESC=CCN(CC=C)CC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N4/c1-3-7-22(8-4-2)10-14(11-23-13-20-12-21-23)16-6-5-15(18)9-17(16)19/h3-6,9,12-14H,1-2,7-8,10-11H2
InChIKeyIHRGMQHAUKJNKI-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.04
Rot. Bonds9

About 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine

2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine (PubChem CID 23634977) has the molecular formula C17H20Cl2N4 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
PubChem CID23634977
Molecular FormulaC17H20Cl2N4
Molecular Weight351.28 g/mol
Exact Mass350.11
IUPAC Name2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine
SMILESC=CCN(CC=C)CC(Cn1cncn1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N4/c1-3-7-22(8-4-2)10-14(11-23-13-20-12-21-23)16-6-5-15(18)9-17(16)19/h3-6,9,12-14H,1-2,7-8,10-11H2
InChIKeyIHRGMQHAUKJNKI-UHFFFAOYSA-N
XLogP4.04
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.04
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 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
The IUPAC name of 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine (CID 23634977) is 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine is C=CCN(CC=C)CC(Cn1cncn1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
The InChIKey is IHRGMQHAUKJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4/c1-3-7-22(8-4-2)10-14(11-23-13-20-12-21-23)16-6-5-15(18)9-17(16)19/h3-6,9,12-14H,1-2,7-8,10-11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine?
2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine has a molecular weight of 351.28 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N,N-bis(prop-2-enyl)-3-(1,2,4-triazol-1-yl)propan-1-amine is sourced from PubChem (CID 23634977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).