6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine

C12H20ClN5 — CID 106195909

IUPAC6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine
SMILESC/C=C/CCNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C12H20ClN5/c1-4-7-8-9-14-11-15-10(13)16-12(17-11)18(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3,(H,14,15,16,17)/b7-4+
InChIKeyRTEPGOCWCYLZTI-QPJJXVBHSA-N
MW269.78 g/mol
LogP2.75
Rot. Bonds7

About 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106195909) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine
PubChem CID106195909
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine
SMILESC/C=C/CCNc1nc(Cl)nc(N(CC)CC)n1
InChIInChI=1S/C12H20ClN5/c1-4-7-8-9-14-11-15-10(13)16-12(17-11)18(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3,(H,14,15,16,17)/b7-4+
InChIKeyRTEPGOCWCYLZTI-QPJJXVBHSA-N
XLogP2.75
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine (CID 106195909) is 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine is C/C=C/CCNc1nc(Cl)nc(N(CC)CC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is RTEPGOCWCYLZTI-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-4-7-8-9-14-11-15-10(13)16-12(17-11)18(5-2)6-3/h4,7H,5-6,8-9H2,1-3H3,(H,14,15,16,17)/b7-4+.
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.75, 7 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-[(E)-pent-3-enyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106195909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).