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

C9H14ClN5 — CID 14950931

IUPAC6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C9H14ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3H,1,4-6H2,2H3,(H2,11,12,13,14,15)
InChIKeyHKQVKBPVMRXQQF-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.94
Rot. Bonds6

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

6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 14950931) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID14950931
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C9H14ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3H,1,4-6H2,2H3,(H2,11,12,13,14,15)
InChIKeyHKQVKBPVMRXQQF-UHFFFAOYSA-N
XLogP1.94
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 14950931) is 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is HKQVKBPVMRXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-3-5-11-8-13-7(10)14-9(15-8)12-6-4-2/h3H,1,4-6H2,2H3,(H2,11,12,13,14,15).
What are the key properties of 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 227.70 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-prop-2-enyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14950931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).