6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C10H16ClN5 — CID 3817889

IUPAC6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C10H16ClN5/c1-4-7-12-9-13-8(11)14-10(15-9)16(5-2)6-3/h4H,1,5-7H2,2-3H3,(H,12,13,14,15)
InChIKeyMGIWKKYMZJSLTI-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.97
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 3817889) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID3817889
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C10H16ClN5/c1-4-7-12-9-13-8(11)14-10(15-9)16(5-2)6-3/h4H,1,5-7H2,2-3H3,(H,12,13,14,15)
InChIKeyMGIWKKYMZJSLTI-UHFFFAOYSA-N
XLogP1.97
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 3817889) is 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MGIWKKYMZJSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-4-7-12-9-13-8(11)14-10(15-9)16(5-2)6-3/h4H,1,5-7H2,2-3H3,(H,12,13,14,15).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.73 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3817889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).