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

C12H18ClN5 — CID 14317544

IUPAC6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C12H18ClN5/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3,(H,14,15,16,17)
InChIKeyWWJQEAYTFXWZOB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.53
Rot. Bonds8

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

6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 14317544) has the molecular formula C12H18ClN5 and a molecular weight of 267.76 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID14317544
Molecular FormulaC12H18ClN5
Molecular Weight267.76 g/mol
Exact Mass267.13
IUPAC Name6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC=CCN(CC=C)c1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C12H18ClN5/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3,(H,14,15,16,17)
InChIKeyWWJQEAYTFXWZOB-UHFFFAOYSA-N
XLogP2.53
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.53
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-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 14317544) is 6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is C=CCN(CC=C)c1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WWJQEAYTFXWZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5/c1-4-7-14-11-15-10(13)16-12(17-11)18(8-5-2)9-6-3/h5-6H,2-4,7-9H2,1H3,(H,14,15,16,17).
What are the key properties of 6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.76 g/mol, XLogP of 2.53, 8 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-bis(prop-2-enyl)-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14317544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).